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

C16H24ClN — CID 64921325

IUPACN-[1-(3-chlorophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine
SMILESCCC1CCC(NC(C)c2cccc(Cl)c2)C1C
InChIInChI=1S/C16H24ClN/c1-4-13-8-9-16(11(13)2)18-12(3)14-6-5-7-15(17)10-14/h5-7,10-13,16,18H,4,8-9H2,1-3H3
InChIKeyBJPRLVIPXIUSHA-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.82
Rot. Bonds4

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

N-[1-(3-chlorophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine (PubChem CID 64921325) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine
PubChem CID64921325
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine
SMILESCCC1CCC(NC(C)c2cccc(Cl)c2)C1C
InChIInChI=1S/C16H24ClN/c1-4-13-8-9-16(11(13)2)18-12(3)14-6-5-7-15(17)10-14/h5-7,10-13,16,18H,4,8-9H2,1-3H3
InChIKeyBJPRLVIPXIUSHA-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 81366645
N-[1-(3-chlorophenyl)ethyl]-2,4-dimethylcyclohexan-1-amine
CID 63994085
N-[1-(3-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine
CID 63277317
(3R,4S)-N-[(1S)-1-(3-chlorophenyl)ethyl]-3-ethyl-1-methylsulfonylpiperidin-4-amine
CID 97026773
3-ethyl-2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclopentan-1-amine
CID 64922146
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
2-[1-(3-chlorophenyl)ethylamino]cyclopentan-1-ol
CID 60713491
trans-(1S,2S)-2-[1-(3-chlorophenyl)ethylamino]cyclohexan-1-ol
CID 104956148
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-ethylcycloheptan-1-amine
CID 81365963
3-ethyl-N-[1-(2-fluorophenyl)ethyl]-2-methylcyclopentan-1-amine
CID 64923126
3-ethyl-2-methyl-N-(1-pyridin-2-ylethyl)cyclopentan-1-amine
CID 64921322

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine (CID 64921325) is N-[1-(3-chlorophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine is CCC1CCC(NC(C)c2cccc(Cl)c2)C1C.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine?
The InChIKey is BJPRLVIPXIUSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-4-13-8-9-16(11(13)2)18-12(3)14-6-5-7-15(17)10-14/h5-7,10-13,16,18H,4,8-9H2,1-3H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine?
N-[1-(3-chlorophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine has a molecular weight of 265.83 g/mol, XLogP of 4.82, 4 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]-3-ethyl-2-methylcyclopentan-1-amine is sourced from PubChem (CID 64921325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).