2-phenyl-N-(2,4,4-trimethylcyclopentyl)aniline

C20H25N — CID 106661522

IUPAC2-phenyl-N-(2,4,4-trimethylcyclopentyl)aniline
SMILESCC1CC(C)(C)CC1Nc1ccccc1-c1ccccc1
InChIInChI=1S/C20H25N/c1-15-13-20(2,3)14-19(15)21-18-12-8-7-11-17(18)16-9-5-4-6-10-16/h4-12,15,19,21H,13-14H2,1-3H3
InChIKeyLIMLDUFYQAOQAJ-UHFFFAOYSA-N
MW279.43 g/mol
LogP5.59
Rot. Bonds3

About 2-phenyl-N-(2,4,4-trimethylcyclopentyl)aniline

2-phenyl-N-(2,4,4-trimethylcyclopentyl)aniline (PubChem CID 106661522) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-phenyl-N-(2,4,4-trimethylcyclopentyl)aniline.

Molecular Properties

Compound Name2-phenyl-N-(2,4,4-trimethylcyclopentyl)aniline
PubChem CID106661522
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name2-phenyl-N-(2,4,4-trimethylcyclopentyl)aniline
SMILESCC1CC(C)(C)CC1Nc1ccccc1-c1ccccc1
InChIInChI=1S/C20H25N/c1-15-13-20(2,3)14-19(15)21-18-12-8-7-11-17(18)16-9-5-4-6-10-16/h4-12,15,19,21H,13-14H2,1-3H3
InChIKeyLIMLDUFYQAOQAJ-UHFFFAOYSA-N
XLogP5.59
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 ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(2,4,4-trimethylcyclopentyl)aniline?
The IUPAC name of 2-phenyl-N-(2,4,4-trimethylcyclopentyl)aniline (CID 106661522) is 2-phenyl-N-(2,4,4-trimethylcyclopentyl)aniline.
What is the SMILES notation for 2-phenyl-N-(2,4,4-trimethylcyclopentyl)aniline?
The canonical SMILES for 2-phenyl-N-(2,4,4-trimethylcyclopentyl)aniline is CC1CC(C)(C)CC1Nc1ccccc1-c1ccccc1.
What is the InChIKey of 2-phenyl-N-(2,4,4-trimethylcyclopentyl)aniline?
The InChIKey is LIMLDUFYQAOQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-15-13-20(2,3)14-19(15)21-18-12-8-7-11-17(18)16-9-5-4-6-10-16/h4-12,15,19,21H,13-14H2,1-3H3.
What are the key properties of 2-phenyl-N-(2,4,4-trimethylcyclopentyl)aniline?
2-phenyl-N-(2,4,4-trimethylcyclopentyl)aniline has a molecular weight of 279.43 g/mol, XLogP of 5.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(2,4,4-trimethylcyclopentyl)aniline is sourced from PubChem (CID 106661522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).