N-[(1S)-1-(2-bromophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine

C16H24BrN — CID 81383170

IUPACN-[(1S)-1-(2-bromophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
SMILESCC1CCCC(N[C@@H](C)c2ccccc2Br)C1C
InChIInChI=1S/C16H24BrN/c1-11-7-6-10-16(12(11)2)18-13(3)14-8-4-5-9-15(14)17/h4-5,8-9,11-13,16,18H,6-7,10H2,1-3H3/t11?,12?,13-,16?/m0/s1
InChIKeyPKCGKKYVQXESMV-KSISSFPLSA-N
MW310.28 g/mol
LogP4.92
Rot. Bonds3

About N-[(1S)-1-(2-bromophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine

N-[(1S)-1-(2-bromophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine (PubChem CID 81383170) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is N-[(1S)-1-(2-bromophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(2-bromophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
PubChem CID81383170
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC NameN-[(1S)-1-(2-bromophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
SMILESCC1CCCC(N[C@@H](C)c2ccccc2Br)C1C
InChIInChI=1S/C16H24BrN/c1-11-7-6-10-16(12(11)2)18-13(3)14-8-4-5-9-15(14)17/h4-5,8-9,11-13,16,18H,6-7,10H2,1-3H3/t11?,12?,13-,16?/m0/s1
InChIKeyPKCGKKYVQXESMV-KSISSFPLSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(2-bromophenyl)ethylamino]cyclohexan-1-ol
CID 60714831
N-[(1S)-1-(2-bromophenyl)ethyl]-2-tert-butylcyclohexan-1-amine
CID 81383486
N-[(1R)-1-(2-bromophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 81378180
N-[(1S)-1-(2-bromophenyl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 81382952
2-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]phenol
CID 64908843
[2-[1-(2-bromophenyl)ethylamino]cyclohexyl]methanol
CID 113261895
N-[(1S)-1-(2-bromophenyl)ethyl]-4-methylcycloheptan-1-amine
CID 81383167
N-[(1R)-1-(2-bromophenyl)ethyl]-2,4,4-trimethylcyclopentan-1-amine
CID 106662665
N-[(1S)-1-(2-bromophenyl)ethyl]cycloheptanamine
CID 29266972
N-[(1S)-1-(2-bromophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 81378144
N-[(1R)-1-(2-bromophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 81378163
N-[1-(2-methoxyphenyl)ethyl]-2-methylcyclopentan-1-amine
CID 63278312

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine (CID 81383170) is N-[(1S)-1-(2-bromophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(1S)-1-(2-bromophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(1S)-1-(2-bromophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine is CC1CCCC(N[C@@H](C)c2ccccc2Br)C1C.
What is the InChIKey of N-[(1S)-1-(2-bromophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine?
The InChIKey is PKCGKKYVQXESMV-KSISSFPLSA-N. The full InChI is InChI=1S/C16H24BrN/c1-11-7-6-10-16(12(11)2)18-13(3)14-8-4-5-9-15(14)17/h4-5,8-9,11-13,16,18H,6-7,10H2,1-3H3/t11?,12?,13-,16?/m0/s1.
What are the key properties of N-[(1S)-1-(2-bromophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine?
N-[(1S)-1-(2-bromophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine has a molecular weight of 310.28 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-bromophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 81383170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).