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[1-(3,4-Dimethoxyphenyl)cyclohexyl]methanamine

HCID 755344
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
55092-70-1
Standard SMILES
COc1ccc(C2(CN)CCCCC2)cc1OC
InChIKey
YQWMHCBHGKRRPV-UHFFFAOYSA-N
Molecular formula
C15H23NO2
Average molar mass
249.35 g/mol
Monoisotopic mass
249.17287898

Names & identifiers

Preferred name
[1-(3,4-Dimethoxyphenyl)cyclohexyl]methanamine
IUPAC
[1-(3,4-dimethoxyphenyl)cyclohexyl]methanamine

Names & synonyms

[1-(3,4-dimethoxyphenyl)cyclohexyl]methanamine55092-70-11-(3,4-dimethoxyphenyl)-1-cyclohexanemethanamine1-[1-(3,4-dimethoxyphenyl)cyclohexyl]methanamine(1-(3,4-dimethoxyphenyl)cyclohexyl)methanamineC-[1-(3,4-Dimethoxy-phenyl)-cyclohexyl]-methylamineC-(1-(3,4-Dimethoxy-phenyl)-cyclohexyl]-methylamineMFCD00436196Oprea1_163996Oprea1_528898SCHEMBL558523SCHEMBL27789422
Show more names
YQWMHCBHGKRRPV-UHFFFAOYSA-NFCA09270STK386610AKOS001630233NS-03685DB-322404CS-0261154EU-0007182

Database identifiers

CAS
55092-70-1
PubChem CID
755344
EC Number
191-396-5

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
44.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
18
Formal charge
0
Complexity
251

Related reactions

7 records
New reaction record
HRID 281818 reaction equation
HRID 281818As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 1139912 reaction equation
HRID 1139912As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1464143 reaction equation
HRID 1464143As reactantuspto-grants-1994_04
HRID 1654156 reaction equation
HRID 1654156As reactantuspto-grants-1995_04
HRID 1818073 reaction equation
HRID 1818073As productuspto-grants-2009_10
HRID 1818075 reaction equation
HRID 1818075As reactantuspto-grants-2009_10
HRID 2157773 reaction equation
HRID 2157773As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes