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

C16H24ClN — CID 81366645

IUPACN-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
SMILESCC1CCCC(N[C@@H](C)c2cccc(Cl)c2)C1C
InChIInChI=1S/C16H24ClN/c1-11-6-4-9-16(12(11)2)18-13(3)14-7-5-8-15(17)10-14/h5,7-8,10-13,16,18H,4,6,9H2,1-3H3/t11?,12?,13-,16?/m0/s1
InChIKeyCKBFDEMZAYOBIL-KSISSFPLSA-N
MW265.83 g/mol
LogP4.82
Rot. Bonds3

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

N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine (PubChem CID 81366645) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
PubChem CID81366645
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC NameN-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
SMILESCC1CCCC(N[C@@H](C)c2cccc(Cl)c2)C1C
InChIInChI=1S/C16H24ClN/c1-11-6-4-9-16(12(11)2)18-13(3)14-7-5-8-15(17)10-14/h5,7-8,10-13,16,18H,4,6,9H2,1-3H3/t11?,12?,13-,16?/m0/s1
InChIKeyCKBFDEMZAYOBIL-KSISSFPLSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine
CID 63277317
N-[(1S)-1-(3-fluorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 81365854
2-[1-(3-chlorophenyl)ethylamino]cyclopentan-1-ol
CID 60713491
trans-(1S,2S)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]cyclohexan-1-ol
CID 93419082
trans-(1S,2S)-2-[1-(3-chlorophenyl)ethylamino]cyclohexan-1-ol
CID 104956148
N-[1-(3-chlorophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 64921325
N-[1-(3-chlorophenyl)ethyl]-2,4-dimethylcyclohexan-1-amine
CID 63994085
N-[1-(3-chlorophenyl)ethyl]-2,5-dimethylcyclohexan-1-amine
CID 64774146
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 81365892
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 43101467
2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]cyclopentan-1-amine
CID 81363310
N-[1-(3-chlorophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43392322

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine (CID 81366645) is N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine is CC1CCCC(N[C@@H](C)c2cccc(Cl)c2)C1C.
What is the InChIKey of N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine?
The InChIKey is CKBFDEMZAYOBIL-KSISSFPLSA-N. The full InChI is InChI=1S/C16H24ClN/c1-11-6-4-9-16(12(11)2)18-13(3)14-7-5-8-15(17)10-14/h5,7-8,10-13,16,18H,4,6,9H2,1-3H3/t11?,12?,13-,16?/m0/s1.
What are the key properties of N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine?
N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine has a molecular weight of 265.83 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 81366645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).