2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-amine

C15H22ClN — CID 63497587

IUPAC2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-amine
SMILESNCC(Cc1cccc(Cl)c1)CC1CCCC1
InChIInChI=1S/C15H22ClN/c16-15-7-3-6-13(10-15)9-14(11-17)8-12-4-1-2-5-12/h3,6-7,10,12,14H,1-2,4-5,8-9,11,17H2
InChIKeyNRGWCOVFWBPCNZ-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.04
Rot. Bonds5

About 2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-amine

2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-amine (PubChem CID 63497587) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-amine.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-amine
PubChem CID63497587
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-amine
SMILESNCC(Cc1cccc(Cl)c1)CC1CCCC1
InChIInChI=1S/C15H22ClN/c16-15-7-3-6-13(10-15)9-14(11-17)8-12-4-1-2-5-12/h3,6-7,10,12,14H,1-2,4-5,8-9,11,17H2
InChIKeyNRGWCOVFWBPCNZ-UHFFFAOYSA-N
XLogP4.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-ol
CID 66059074
1-(2-bromo-3-cyclopentylpropyl)-3-chlorobenzene
CID 63530757
2-(3-chlorophenyl)-1-cyclopentylethanamine
CID 60818439
[2-(3-chlorophenyl)-1-cyclobutylethyl]hydrazine
CID 105195049
2-(3-chlorophenyl)-1-cycloheptylethanol
CID 63518276
2-[(3-chlorophenyl)methyl]-3-(2,5-dichlorophenyl)propan-1-amine
CID 65318331
1-chloro-3-(2-chloro-2-cyclopropylethyl)benzene
CID 63016501
2-(3-chlorophenyl)-1-cycloheptyl-N-methylethanamine
CID 63528651
1-chloro-3-(2-methylpropyl)benzene;propan-2-ylcyclobutane
CID 163536568
2-[(3-chlorophenyl)methyl]-3-phenylmethoxypropan-1-amine
CID 102940409
[4-[[(3-chlorophenyl)methyl-(cyclohexylmethyl)amino]methyl]cyclohexyl]methanamine
CID 142934612
1-(3-chlorophenyl)-4-cyclohexyl-N-methylbutan-2-amine
CID 63528999

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-amine?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-amine (CID 63497587) is 2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-amine.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-amine?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-amine is NCC(Cc1cccc(Cl)c1)CC1CCCC1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-amine?
The InChIKey is NRGWCOVFWBPCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c16-15-7-3-6-13(10-15)9-14(11-17)8-12-4-1-2-5-12/h3,6-7,10,12,14H,1-2,4-5,8-9,11,17H2.
What are the key properties of 2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-amine?
2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-amine has a molecular weight of 251.80 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-amine is sourced from PubChem (CID 63497587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).