N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine

C14H20ClN — CID 81353352

IUPACN-[(1S)-1-(4-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine
SMILESCC1CCCC1N[C@@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClN/c1-10-4-3-5-14(10)16-11(2)12-6-8-13(15)9-7-12/h6-11,14,16H,3-5H2,1-2H3/t10?,11-,14?/m0/s1
InChIKeyOBJZEZMURYSTKL-CVZZAPKMSA-N
MW237.77 g/mol
LogP4.18
Rot. Bonds3

About N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine

N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine (PubChem CID 81353352) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine
PubChem CID81353352
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine
SMILESCC1CCCC1N[C@@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClN/c1-10-4-3-5-14(10)16-11(2)12-6-8-13(15)9-7-12/h6-11,14,16H,3-5H2,1-2H3/t10?,11-,14?/m0/s1
InChIKeyOBJZEZMURYSTKL-CVZZAPKMSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine
CID 63277047
cis-(1R,2S)-2-methyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 95377362
trans-(1S,2S)-2-methyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 95377360
N-[1-(3-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine
CID 63277317
N-[1-(2,5-dichlorophenyl)ethyl]-2-methylcyclopentan-1-amine
CID 55193924
cis-(1R,2S)-2-methyl-N-[(1S)-1-pyridin-4-ylethyl]cyclopentan-1-amine
CID 95377359
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cyclohexan-1-ol
CID 81352447
N-[1-(4-bromophenyl)ethyl]-2-methylcyclohexan-1-amine
CID 43080246
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cycloheptan-1-ol
CID 81352634
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cyclopentane-1-carbonitrile
CID 81352755
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methylcyclohexan-1-amine
CID 43224358
4-[1-[(2-methylcyclohexyl)amino]ethyl]benzonitrile
CID 43194954

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine (CID 81353352) is N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine is CC1CCCC1N[C@@H](C)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine?
The InChIKey is OBJZEZMURYSTKL-CVZZAPKMSA-N. The full InChI is InChI=1S/C14H20ClN/c1-10-4-3-5-14(10)16-11(2)12-6-8-13(15)9-7-12/h6-11,14,16H,3-5H2,1-2H3/t10?,11-,14?/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine?
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine has a molecular weight of 237.77 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine is sourced from PubChem (CID 81353352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).