N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methoxycyclohexan-1-amine

C15H22ClNO — CID 113414414

IUPACN-[(1S)-1-(3-chlorophenyl)ethyl]-4-methoxycyclohexan-1-amine
SMILESCOC1CCC(N[C@@H](C)c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H22ClNO/c1-11(12-4-3-5-13(16)10-12)17-14-6-8-15(18-2)9-7-14/h3-5,10-11,14-15,17H,6-9H2,1-2H3/t11-,14?,15?/m0/s1
InChIKeyZBLDOWZXKNCULM-QGLTVNCISA-N
MW267.80 g/mol
LogP3.95
Rot. Bonds4

About N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methoxycyclohexan-1-amine

N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methoxycyclohexan-1-amine (PubChem CID 113414414) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methoxycyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(3-chlorophenyl)ethyl]-4-methoxycyclohexan-1-amine
PubChem CID113414414
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC NameN-[(1S)-1-(3-chlorophenyl)ethyl]-4-methoxycyclohexan-1-amine
SMILESCOC1CCC(N[C@@H](C)c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H22ClNO/c1-11(12-4-3-5-13(16)10-12)17-14-6-8-15(18-2)9-7-14/h3-5,10-11,14-15,17H,6-9H2,1-2H3/t11-,14?,15?/m0/s1
InChIKeyZBLDOWZXKNCULM-QGLTVNCISA-N
XLogP3.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1,4-diamine
CID 62313851
4-tert-butyl-N-[(1R)-1-(3-chlorophenyl)ethyl]cyclohexan-1-amine
CID 29045070
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-ethylcycloheptan-1-amine
CID 81365963
4-tert-butyl-N-[1-(3-chlorophenyl)ethyl]cycloheptan-1-amine
CID 65089853
3-[1-[(4-methoxycyclohexyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide
CID 91660415
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-propylcycloheptan-1-amine
CID 81365897
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methylazepan-4-amine
CID 81366828
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine
CID 81366711
1-[4-[1-(3-chlorophenyl)ethylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43747786
(1S)-1-(3-chlorophenyl)-N-(cyclopentylmethyl)ethanamine
CID 81366631
ethyl 3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]cyclohexane-1-carboxylate
CID 104881605
N-[1-(3-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine
CID 63277317

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methoxycyclohexan-1-amine?
The IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methoxycyclohexan-1-amine (CID 113414414) is N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methoxycyclohexan-1-amine.
What is the SMILES notation for N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methoxycyclohexan-1-amine?
The canonical SMILES for N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methoxycyclohexan-1-amine is COC1CCC(N[C@@H](C)c2cccc(Cl)c2)CC1.
What is the InChIKey of N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methoxycyclohexan-1-amine?
The InChIKey is ZBLDOWZXKNCULM-QGLTVNCISA-N. The full InChI is InChI=1S/C15H22ClNO/c1-11(12-4-3-5-13(16)10-12)17-14-6-8-15(18-2)9-7-14/h3-5,10-11,14-15,17H,6-9H2,1-2H3/t11-,14?,15?/m0/s1.
What are the key properties of N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methoxycyclohexan-1-amine?
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methoxycyclohexan-1-amine has a molecular weight of 267.80 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methoxycyclohexan-1-amine is sourced from PubChem (CID 113414414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).