N-[1-(3-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine

C14H20ClN — CID 63277317

IUPACN-[1-(3-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine
SMILESCC(NC1CCCC1C)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClN/c1-10-5-3-8-14(10)16-11(2)12-6-4-7-13(15)9-12/h4,6-7,9-11,14,16H,3,5,8H2,1-2H3
InChIKeyXHEXMALDNKAKOM-UHFFFAOYSA-N
MW237.77 g/mol
LogP4.18
Rot. Bonds3

About N-[1-(3-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine

N-[1-(3-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine (PubChem CID 63277317) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine
PubChem CID63277317
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine
SMILESCC(NC1CCCC1C)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClN/c1-10-5-3-8-14(10)16-11(2)12-6-4-7-13(15)9-12/h4,6-7,9-11,14,16H,3,5,8H2,1-2H3
InChIKeyXHEXMALDNKAKOM-UHFFFAOYSA-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-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 81366645
2-[1-(3-chlorophenyl)ethylamino]cyclopentan-1-ol
CID 60713491
2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]cyclopentan-1-amine
CID 81363310
N-[1-(3-chlorophenyl)ethyl]-2,4-dimethylcyclohexan-1-amine
CID 63994085
N-[1-(3-chlorophenyl)ethyl]-2,5-dimethylcyclohexan-1-amine
CID 64774146
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-[(1S)-1-(4-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine
CID 81353352
N-[1-(4-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine
CID 63277047
trans-(1S,2S)-2-methyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 95377360
cis-(1R,2S)-2-methyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 95377362
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 81365892

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine (CID 63277317) is N-[1-(3-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine is CC(NC1CCCC1C)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine?
The InChIKey is XHEXMALDNKAKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-10-5-3-8-14(10)16-11(2)12-6-4-7-13(15)9-12/h4,6-7,9-11,14,16H,3,5,8H2,1-2H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine?
N-[1-(3-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-[1-(3-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine is sourced from PubChem (CID 63277317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).