N-[(4-methoxyphenyl)methyl]cyclobutanamine

HCID 59313984

Notes Reactions

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Basic information

Standard SMILES: COc1ccc(CNC2CCC2)cc1
InChIKey: KWPXRGPYGNBPNM-UHFFFAOYSA-N
Molecular formula: C12H17NO
Average molar mass: 191.27 g/mol

Names & identifiers

Preferred name: N-[(4-methoxyphenyl)methyl]cyclobutanamine
IUPAC: N-[(4-methoxyphenyl)methyl]cyclobutanamine

Names & synonyms

N-[(4-methoxyphenyl)methyl]cyclobutanamine1181382-84-2Cyclobutyl-(4-methoxy-benzyl)-amineN-(4-methoxybenzyl)cyclobutanamineSCHEMBL1357212KWPXRGPYGNBPNM-UHFFFAOYSA-NCyclobutyl-(4-methoxybenzyl)-amineAKOS011050085DA-14977H28613F541875A1-10753

Show more names

F1967-9668

Database identifiers

PubChem CID: 59313984

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 21.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 14
Formal charge: 0
Complexity: 160

Related reactions

8 records

New reaction record

HRID 293939As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 833663As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 835609As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 889454As productuspto-grants-2012_08

HRID 889455As reactantuspto-grants-2012_08

HRID 889457As reactantuspto-grants-2012_08

HRID 889470As reactantuspto-grants-2012_08

HRID 1239685As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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