N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methylazepan-4-amine

C15H23ClN2 — CID 81366828

IUPACN-[(1R)-1-(3-chlorophenyl)ethyl]-1-methylazepan-4-amine
SMILESC[C@@H](NC1CCCN(C)CC1)c1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2/c1-12(13-5-3-6-14(16)11-13)17-15-7-4-9-18(2)10-8-15/h3,5-6,11-12,15,17H,4,7-10H2,1-2H3/t12-,15?/m1/s1
InChIKeyHHQXAURVDVPYJY-KEKZHRQWSA-N
MW266.82 g/mol
LogP3.47
Rot. Bonds3

About N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methylazepan-4-amine

N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methylazepan-4-amine (PubChem CID 81366828) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methylazepan-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-(3-chlorophenyl)ethyl]-1-methylazepan-4-amine
PubChem CID81366828
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC NameN-[(1R)-1-(3-chlorophenyl)ethyl]-1-methylazepan-4-amine
SMILESC[C@@H](NC1CCCN(C)CC1)c1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2/c1-12(13-5-3-6-14(16)11-13)17-15-7-4-9-18(2)10-8-15/h3,5-6,11-12,15,17H,4,7-10H2,1-2H3/t12-,15?/m1/s1
InChIKeyHHQXAURVDVPYJY-KEKZHRQWSA-N
XLogP3.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methylazepan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-N-[(1S)-1-phenylethyl]azepan-4-amine
CID 81350289
1-[4-[1-(3-chlorophenyl)ethylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43747786
4-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1,4-diamine
CID 62313851
N-[1-(3-chlorophenyl)propyl]-1-methylpiperidin-4-amine
CID 43373395
N-[1-(4-chlorophenyl)ethyl]-1-methylpiperidin-4-amine
CID 43181057
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-ethylcycloheptan-1-amine
CID 81365963
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine
CID 81366711
4-tert-butyl-N-[1-(3-chlorophenyl)ethyl]cycloheptan-1-amine
CID 65089853
3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzonitrile
CID 43775849
N-[1-(3-bromophenyl)ethyl]-1-methylpiperidin-3-amine
CID 61210641
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-propylcycloheptan-1-amine
CID 81365897
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methoxycyclohexan-1-amine
CID 113414414

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methylazepan-4-amine?
The IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methylazepan-4-amine (CID 81366828) is N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methylazepan-4-amine.
What is the SMILES notation for N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methylazepan-4-amine?
The canonical SMILES for N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methylazepan-4-amine is C[C@@H](NC1CCCN(C)CC1)c1cccc(Cl)c1.
What is the InChIKey of N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methylazepan-4-amine?
The InChIKey is HHQXAURVDVPYJY-KEKZHRQWSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-12(13-5-3-6-14(16)11-13)17-15-7-4-9-18(2)10-8-15/h3,5-6,11-12,15,17H,4,7-10H2,1-2H3/t12-,15?/m1/s1.
What are the key properties of N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methylazepan-4-amine?
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methylazepan-4-amine has a molecular weight of 266.82 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methylazepan-4-amine is sourced from PubChem (CID 81366828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).