(3-chloro-4-methylphenyl)-(1-phenylcyclopentyl)methanamine

C19H22ClN — CID 107560263

IUPAC(3-chloro-4-methylphenyl)-(1-phenylcyclopentyl)methanamine
SMILESCc1ccc(C(N)C2(c3ccccc3)CCCC2)cc1Cl
InChIInChI=1S/C19H22ClN/c1-14-9-10-15(13-17(14)20)18(21)19(11-5-6-12-19)16-7-3-2-4-8-16/h2-4,7-10,13,18H,5-6,11-12,21H2,1H3
InChIKeyGQULGEVGMRSFQL-UHFFFAOYSA-N
MW299.85 g/mol
LogP5.16
Rot. Bonds3

About (3-chloro-4-methylphenyl)-(1-phenylcyclopentyl)methanamine

(3-chloro-4-methylphenyl)-(1-phenylcyclopentyl)methanamine (PubChem CID 107560263) has the molecular formula C19H22ClN and a molecular weight of 299.85 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-(1-phenylcyclopentyl)methanamine.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-(1-phenylcyclopentyl)methanamine
PubChem CID107560263
Molecular FormulaC19H22ClN
Molecular Weight299.85 g/mol
Exact Mass299.14
IUPAC Name(3-chloro-4-methylphenyl)-(1-phenylcyclopentyl)methanamine
SMILESCc1ccc(C(N)C2(c3ccccc3)CCCC2)cc1Cl
InChIInChI=1S/C19H22ClN/c1-14-9-10-15(13-17(14)20)18(21)19(11-5-6-12-19)16-7-3-2-4-8-16/h2-4,7-10,13,18H,5-6,11-12,21H2,1H3
InChIKeyGQULGEVGMRSFQL-UHFFFAOYSA-N
XLogP5.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.85
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3,4-dimethylphenyl)-(1-phenylcyclobutyl)methanamine
CID 63079154
(3-fluoro-4-methylphenyl)-(1-phenylcyclobutyl)methanamine
CID 107128712
(4-fluorophenyl)-(1-phenylcyclohexyl)methanamine
CID 63417721
(4-methoxy-3,5-dimethylphenyl)-(1-phenylcyclopropyl)methanamine
CID 83045638
1-[(3-chloro-4-methylphenyl)-hydroxymethyl]cycloheptan-1-ol
CID 107560180
1-(3-chloro-4-methylphenyl)-2-phenylethanamine
CID 55162176
(4-methyl-3-pyridinyl)-(1-phenylcyclohexyl)methanamine
CID 66272498
[(3,4-dimethylphenyl)-(1-phenylcyclobutyl)methyl]hydrazine
CID 105217373
1-[1-(3-chloro-4-methylphenyl)cyclobutyl]butan-1-amine
CID 13083237
1-(1-phenylcyclopentyl)ethanamine;hydrochloride
CID 75466877
(1R)-1-(1-phenylcyclohexyl)ethanamine
CID 78998571
(3-chloro-4-methylphenyl)-(1-methoxy-3-methylcyclohexyl)methanamine
CID 107560765

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-(1-phenylcyclopentyl)methanamine?
The IUPAC name of (3-chloro-4-methylphenyl)-(1-phenylcyclopentyl)methanamine (CID 107560263) is (3-chloro-4-methylphenyl)-(1-phenylcyclopentyl)methanamine.
What is the SMILES notation for (3-chloro-4-methylphenyl)-(1-phenylcyclopentyl)methanamine?
The canonical SMILES for (3-chloro-4-methylphenyl)-(1-phenylcyclopentyl)methanamine is Cc1ccc(C(N)C2(c3ccccc3)CCCC2)cc1Cl.
What is the InChIKey of (3-chloro-4-methylphenyl)-(1-phenylcyclopentyl)methanamine?
The InChIKey is GQULGEVGMRSFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN/c1-14-9-10-15(13-17(14)20)18(21)19(11-5-6-12-19)16-7-3-2-4-8-16/h2-4,7-10,13,18H,5-6,11-12,21H2,1H3.
What are the key properties of (3-chloro-4-methylphenyl)-(1-phenylcyclopentyl)methanamine?
(3-chloro-4-methylphenyl)-(1-phenylcyclopentyl)methanamine has a molecular weight of 299.85 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)-(1-phenylcyclopentyl)methanamine is sourced from PubChem (CID 107560263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).