Basic information
- CAS
78987-76-5- Standard SMILES
CNC1(c2ccc(F)cc2)CCCCC1- InChIKey
UGURUEVWEYBRSY-UHFFFAOYSA-N- Molecular formula
- C13H18FN
- Average molar mass
- 207.29 g/mol
- Monoisotopic mass
- 207.14232774
Names & identifiers
- Preferred name
- 1-(p-Fluorophenyl)-N-methylcyclohexylamine
- IUPAC
- 1-(4-fluorophenyl)-N-methylcyclohexan-1-amine
- English name
- 1-(p-fluorophenyl)-N-methylcyclohexylamine
- Molecular formula
- C13H18FN
- Molecular weight
- 207.29
Names & synonyms
78987-76-51-(p-Fluorophenyl)-N-methylcyclohexylamine1-(4-fluorophenyl)-N-methylcyclohexan-1-amine2IHV1OK96KMLS002703746NSC-102801EINECS 279-030-3NSC102801Cyclohexanamine,1-(4-fluorophenyl)-N-methyl-UNII-2IHV1OK96KSCHEMBL8284914CHEMBL1895534
Show more names
1-(4-Fluorophenyl)-N-methylcyclohexanamine1-(4-FLUOROPHENYL)-N-METHYLCYCLOHEXYLAMINE
DTXSID90229480UGURUEVWEYBRSY-UHFFFAOYSA-NFF86962NSC 102801SMR001570462DS-000247NS00060781Cyclohexanamine, 1-(4-fluorophenyl)-N-methyl-
Database identifiers
- CAS
78987-76-5- PubChem CID
- 97168
- DTXSID
DTXSID90229480- ChEMBL
CHEMBL1895534- UNII
- 2IHV1OK96K
- EC Number
- 279-030-3
- Nikkaji
- J307.957K
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- FDA UNII
- 2 IHV1OK96K · 2IHV1OK96K
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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