(2,4-dimethylphenyl)-(1-phenylcyclopentyl)methanamine

C20H25N — CID 63418067

IUPAC(2,4-dimethylphenyl)-(1-phenylcyclopentyl)methanamine
SMILESCc1ccc(C(N)C2(c3ccccc3)CCCC2)c(C)c1
InChIInChI=1S/C20H25N/c1-15-10-11-18(16(2)14-15)19(21)20(12-6-7-13-20)17-8-4-3-5-9-17/h3-5,8-11,14,19H,6-7,12-13,21H2,1-2H3
InChIKeyIVPYQRKXZOQZLL-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.82
Rot. Bonds3

About (2,4-dimethylphenyl)-(1-phenylcyclopentyl)methanamine

(2,4-dimethylphenyl)-(1-phenylcyclopentyl)methanamine (PubChem CID 63418067) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-(1-phenylcyclopentyl)methanamine.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-(1-phenylcyclopentyl)methanamine
PubChem CID63418067
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name(2,4-dimethylphenyl)-(1-phenylcyclopentyl)methanamine
SMILESCc1ccc(C(N)C2(c3ccccc3)CCCC2)c(C)c1
InChIInChI=1S/C20H25N/c1-15-10-11-18(16(2)14-15)19(21)20(12-6-7-13-20)17-8-4-3-5-9-17/h3-5,8-11,14,19H,6-7,12-13,21H2,1-2H3
InChIKeyIVPYQRKXZOQZLL-UHFFFAOYSA-N
XLogP4.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-fluoro-2-methylphenyl)-(1-phenylcyclopropyl)methanamine
CID 63078447
(4-methyl-3-pyridinyl)-(1-phenylcyclohexyl)methanamine
CID 66272498
(2-methylphenyl)-(4-phenyloxan-4-yl)methanamine
CID 63081175
(2-methoxyphenyl)-(1-phenylcyclopentyl)methanamine
CID 63080445
N-[(2,4-dimethylphenyl)-(1-phenylcyclopropyl)methyl]ethanamine
CID 63417836
(3,4-dimethylphenyl)-(1-phenylcyclobutyl)methanamine
CID 63079154
(3-chloro-4-methylphenyl)-(1-phenylcyclopentyl)methanamine
CID 107560263
(1-phenylcyclobutyl)-(2,3,4-trifluorophenyl)methanamine
CID 63080571
(2,3-difluorophenyl)-(1-phenylcyclopentyl)methanamine
CID 63988826
(5-bromo-2-fluorophenyl)-(1-phenylcyclopentyl)methanamine
CID 79721756
(3-fluoro-4-methylphenyl)-(1-phenylcyclobutyl)methanamine
CID 107128712
1-(1-phenylcyclopentyl)ethanamine;hydrochloride
CID 75466877

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-(1-phenylcyclopentyl)methanamine?
The IUPAC name of (2,4-dimethylphenyl)-(1-phenylcyclopentyl)methanamine (CID 63418067) is (2,4-dimethylphenyl)-(1-phenylcyclopentyl)methanamine.
What is the SMILES notation for (2,4-dimethylphenyl)-(1-phenylcyclopentyl)methanamine?
The canonical SMILES for (2,4-dimethylphenyl)-(1-phenylcyclopentyl)methanamine is Cc1ccc(C(N)C2(c3ccccc3)CCCC2)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl)-(1-phenylcyclopentyl)methanamine?
The InChIKey is IVPYQRKXZOQZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-15-10-11-18(16(2)14-15)19(21)20(12-6-7-13-20)17-8-4-3-5-9-17/h3-5,8-11,14,19H,6-7,12-13,21H2,1-2H3.
What are the key properties of (2,4-dimethylphenyl)-(1-phenylcyclopentyl)methanamine?
(2,4-dimethylphenyl)-(1-phenylcyclopentyl)methanamine has a molecular weight of 279.43 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-(1-phenylcyclopentyl)methanamine is sourced from PubChem (CID 63418067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).