N-(2,6-dimethylcyclohexyl)-4-phenylaniline

C20H25N — CID 43716849

IUPACN-(2,6-dimethylcyclohexyl)-4-phenylaniline
SMILESCC1CCCC(C)C1Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H25N/c1-15-7-6-8-16(2)20(15)21-19-13-11-18(12-14-19)17-9-4-3-5-10-17/h3-5,9-16,20-21H,6-8H2,1-2H3
InChIKeyUIJWEWKHKYLQIA-UHFFFAOYSA-N
MW279.43 g/mol
LogP5.59
Rot. Bonds3

About N-(2,6-dimethylcyclohexyl)-4-phenylaniline

N-(2,6-dimethylcyclohexyl)-4-phenylaniline (PubChem CID 43716849) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is N-(2,6-dimethylcyclohexyl)-4-phenylaniline.

Molecular Properties

Compound NameN-(2,6-dimethylcyclohexyl)-4-phenylaniline
PubChem CID43716849
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC NameN-(2,6-dimethylcyclohexyl)-4-phenylaniline
SMILESCC1CCCC(C)C1Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H25N/c1-15-7-6-8-16(2)20(15)21-19-13-11-18(12-14-19)17-9-4-3-5-10-17/h3-5,9-16,20-21H,6-8H2,1-2H3
InChIKeyUIJWEWKHKYLQIA-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 N-(2,6-dimethylcyclohexyl)-4-phenylaniline?
The IUPAC name of N-(2,6-dimethylcyclohexyl)-4-phenylaniline (CID 43716849) is N-(2,6-dimethylcyclohexyl)-4-phenylaniline.
What is the SMILES notation for N-(2,6-dimethylcyclohexyl)-4-phenylaniline?
The canonical SMILES for N-(2,6-dimethylcyclohexyl)-4-phenylaniline is CC1CCCC(C)C1Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(2,6-dimethylcyclohexyl)-4-phenylaniline?
The InChIKey is UIJWEWKHKYLQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-15-7-6-8-16(2)20(15)21-19-13-11-18(12-14-19)17-9-4-3-5-10-17/h3-5,9-16,20-21H,6-8H2,1-2H3.
What are the key properties of N-(2,6-dimethylcyclohexyl)-4-phenylaniline?
N-(2,6-dimethylcyclohexyl)-4-phenylaniline 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 N-(2,6-dimethylcyclohexyl)-4-phenylaniline is sourced from PubChem (CID 43716849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).