2,3-dimethyl-N-[3-(4-methylphenyl)cyclopentyl]aniline

C20H25N — CID 146232669

IUPAC2,3-dimethyl-N-[3-(4-methylphenyl)cyclopentyl]aniline
SMILESCc1ccc(C2CCC(Nc3cccc(C)c3C)C2)cc1
InChIInChI=1S/C20H25N/c1-14-7-9-17(10-8-14)18-11-12-19(13-18)21-20-6-4-5-15(2)16(20)3/h4-10,18-19,21H,11-13H2,1-3H3
InChIKeyYSTTYORURGUQCY-UHFFFAOYSA-N
MW279.43 g/mol
LogP5.36
Rot. Bonds3

About 2,3-dimethyl-N-[3-(4-methylphenyl)cyclopentyl]aniline

2,3-dimethyl-N-[3-(4-methylphenyl)cyclopentyl]aniline (PubChem CID 146232669) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 2,3-dimethyl-N-[3-(4-methylphenyl)cyclopentyl]aniline.

Molecular Properties

Compound Name2,3-dimethyl-N-[3-(4-methylphenyl)cyclopentyl]aniline
PubChem CID146232669
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name2,3-dimethyl-N-[3-(4-methylphenyl)cyclopentyl]aniline
SMILESCc1ccc(C2CCC(Nc3cccc(C)c3C)C2)cc1
InChIInChI=1S/C20H25N/c1-14-7-9-17(10-8-14)18-11-12-19(13-18)21-20-6-4-5-15(2)16(20)3/h4-10,18-19,21H,11-13H2,1-3H3
InChIKeyYSTTYORURGUQCY-UHFFFAOYSA-N
XLogP5.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.43
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[3-(4-methylphenyl)cyclopentyl]aniline?
The IUPAC name of 2,3-dimethyl-N-[3-(4-methylphenyl)cyclopentyl]aniline (CID 146232669) is 2,3-dimethyl-N-[3-(4-methylphenyl)cyclopentyl]aniline.
What is the SMILES notation for 2,3-dimethyl-N-[3-(4-methylphenyl)cyclopentyl]aniline?
The canonical SMILES for 2,3-dimethyl-N-[3-(4-methylphenyl)cyclopentyl]aniline is Cc1ccc(C2CCC(Nc3cccc(C)c3C)C2)cc1.
What is the InChIKey of 2,3-dimethyl-N-[3-(4-methylphenyl)cyclopentyl]aniline?
The InChIKey is YSTTYORURGUQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-14-7-9-17(10-8-14)18-11-12-19(13-18)21-20-6-4-5-15(2)16(20)3/h4-10,18-19,21H,11-13H2,1-3H3.
What are the key properties of 2,3-dimethyl-N-[3-(4-methylphenyl)cyclopentyl]aniline?
2,3-dimethyl-N-[3-(4-methylphenyl)cyclopentyl]aniline has a molecular weight of 279.43 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[3-(4-methylphenyl)cyclopentyl]aniline is sourced from PubChem (CID 146232669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).