N-[(3-chloro-4-methylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine

C17H26ClN — CID 107562085

IUPACN-[(3-chloro-4-methylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)c(Cl)c1)C1CCCC1C
InChIInChI=1S/C17H26ClN/c1-4-10-19-17(15-7-5-6-12(15)2)14-9-8-13(3)16(18)11-14/h8-9,11-12,15,17,19H,4-7,10H2,1-3H3
InChIKeySOLXNPLRYCAVLE-UHFFFAOYSA-N
MW279.86 g/mol
LogP5.13
Rot. Bonds5

About N-[(3-chloro-4-methylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine

N-[(3-chloro-4-methylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine (PubChem CID 107562085) has the molecular formula C17H26ClN and a molecular weight of 279.86 g/mol. Its IUPAC name is N-[(3-chloro-4-methylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-methylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
PubChem CID107562085
Molecular FormulaC17H26ClN
Molecular Weight279.86 g/mol
Exact Mass279.18
IUPAC NameN-[(3-chloro-4-methylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)c(Cl)c1)C1CCCC1C
InChIInChI=1S/C17H26ClN/c1-4-10-19-17(15-7-5-6-12(15)2)14-9-8-13(3)16(18)11-14/h8-9,11-12,15,17,19H,4-7,10H2,1-3H3
InChIKeySOLXNPLRYCAVLE-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.86
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-chloro-2,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107177855
N-[(4-fluoro-3,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107177899
N-[(3-chloro-4-methylphenyl)-(3-ethylcyclohexyl)methyl]propan-1-amine
CID 104992258
N-[1,3-dihydro-2-benzofuran-5-yl-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107177806
N-[(3-chloro-4-methylphenyl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine
CID 107561829
N-[(2-methylcyclopentyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 107189268
N-[(4-chloro-3-methylphenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine
CID 115862665
N-[(2-methylcyclopentyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 107190433
N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107191379
6-[(2-methylcyclopentyl)-(propylamino)methyl]-3H-1,3-benzoxazol-2-one
CID 107177554
N-[(3-chloro-4-methylphenyl)-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine
CID 107560838
N-[(2-methylcyclopropyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 43625497

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-chloro-4-methylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine (CID 107562085) is N-[(3-chloro-4-methylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-chloro-4-methylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-chloro-4-methylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine is CCCNC(c1ccc(C)c(Cl)c1)C1CCCC1C.
What is the InChIKey of N-[(3-chloro-4-methylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine?
The InChIKey is SOLXNPLRYCAVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN/c1-4-10-19-17(15-7-5-6-12(15)2)14-9-8-13(3)16(18)11-14/h8-9,11-12,15,17,19H,4-7,10H2,1-3H3.
What are the key properties of N-[(3-chloro-4-methylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine?
N-[(3-chloro-4-methylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine has a molecular weight of 279.86 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine is sourced from PubChem (CID 107562085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).