N-[(3-bromophenyl)methyl]-2-phenylcyclohexan-1-amine

C19H22BrN — CID 63454758

IUPACN-[(3-bromophenyl)methyl]-2-phenylcyclohexan-1-amine
SMILESBrc1cccc(CNC2CCCCC2c2ccccc2)c1
InChIInChI=1S/C19H22BrN/c20-17-10-6-7-15(13-17)14-21-19-12-5-4-11-18(19)16-8-2-1-3-9-16/h1-3,6-10,13,18-19,21H,4-5,11-12,14H2
InChIKeyOMSZCMJKKINERY-UHFFFAOYSA-N
MW344.30 g/mol
LogP5.27
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-2-phenylcyclohexan-1-amine

N-[(3-bromophenyl)methyl]-2-phenylcyclohexan-1-amine (PubChem CID 63454758) has the molecular formula C19H22BrN and a molecular weight of 344.30 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2-phenylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2-phenylcyclohexan-1-amine
PubChem CID63454758
Molecular FormulaC19H22BrN
Molecular Weight344.30 g/mol
Exact Mass343.09
IUPAC NameN-[(3-bromophenyl)methyl]-2-phenylcyclohexan-1-amine
SMILESBrc1cccc(CNC2CCCCC2c2ccccc2)c1
InChIInChI=1S/C19H22BrN/c20-17-10-6-7-15(13-17)14-21-19-12-5-4-11-18(19)16-8-2-1-3-9-16/h1-3,6-10,13,18-19,21H,4-5,11-12,14H2
InChIKeyOMSZCMJKKINERY-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.30
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1S,2S)-1-N,2-N-bis[(3-bromophenyl)methyl]cyclohexane-1,2-diamine
CID 51041024
N-[(3-bromophenyl)methyl]-2-methylcyclohexan-1-amine
CID 43178720
3-bromo-N-(2-phenylcyclohexyl)aniline
CID 43762869
N-[(3-bromophenyl)methyl]-2-methoxycyclohexan-1-amine
CID 61401371
2-phenyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 43769450
2-phenyl-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine
CID 54897003
2,4-dibromo-N-(2-phenylcyclohexyl)aniline
CID 63427209
N-[(6-methyl-3-pyridinyl)methyl]-2-phenylcyclohexan-1-amine
CID 62994908
2-phenyl-N-propylcyclohexan-1-amine
CID 43755016
N-(cyclohexylmethyl)-2-phenylcyclohexan-1-amine
CID 43775635
N-(2,2-dimethylpropyl)-2-phenylcyclohexan-1-amine
CID 61166824
4-bromo-N-(2-phenylcyclohexyl)aniline
CID 43762754

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2-phenylcyclohexan-1-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-2-phenylcyclohexan-1-amine (CID 63454758) is N-[(3-bromophenyl)methyl]-2-phenylcyclohexan-1-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2-phenylcyclohexan-1-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2-phenylcyclohexan-1-amine is Brc1cccc(CNC2CCCCC2c2ccccc2)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2-phenylcyclohexan-1-amine?
The InChIKey is OMSZCMJKKINERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN/c20-17-10-6-7-15(13-17)14-21-19-12-5-4-11-18(19)16-8-2-1-3-9-16/h1-3,6-10,13,18-19,21H,4-5,11-12,14H2.
What are the key properties of N-[(3-bromophenyl)methyl]-2-phenylcyclohexan-1-amine?
N-[(3-bromophenyl)methyl]-2-phenylcyclohexan-1-amine has a molecular weight of 344.30 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2-phenylcyclohexan-1-amine is sourced from PubChem (CID 63454758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).