2-methyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]aniline

C26H35N — CID 143115116

IUPAC2-methyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]aniline
SMILESCc1ccc(-c2ccc(C3CCC(C4CCC(C)CC4)CC3)cc2)cc1N
InChIInChI=1S/C26H35N/c1-18-3-6-20(7-4-18)21-9-11-22(12-10-21)23-13-15-24(16-14-23)25-8-5-19(2)26(27)17-25/h5,8,13-18,20-22H,3-4,6-7,9-12,27H2,1-2H3
InChIKeyNSQWVAFAQWWOPZ-UHFFFAOYSA-N
MW361.57 g/mol
LogP7.34
Rot. Bonds3

About 2-methyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]aniline

2-methyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]aniline (PubChem CID 143115116) has the molecular formula C26H35N and a molecular weight of 361.57 g/mol. Its IUPAC name is 2-methyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]aniline.

Molecular Properties

Compound Name2-methyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]aniline
PubChem CID143115116
Molecular FormulaC26H35N
Molecular Weight361.57 g/mol
Exact Mass361.28
IUPAC Name2-methyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]aniline
SMILESCc1ccc(-c2ccc(C3CCC(C4CCC(C)CC4)CC3)cc2)cc1N
InChIInChI=1S/C26H35N/c1-18-3-6-20(7-4-18)21-9-11-22(12-10-21)23-13-15-24(16-14-23)25-8-5-19(2)26(27)17-25/h5,8,13-18,20-22H,3-4,6-7,9-12,27H2,1-2H3
InChIKeyNSQWVAFAQWWOPZ-UHFFFAOYSA-N
XLogP7.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.57
LogP ≤ 57.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]aniline?
The IUPAC name of 2-methyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]aniline (CID 143115116) is 2-methyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]aniline.
What is the SMILES notation for 2-methyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]aniline?
The canonical SMILES for 2-methyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]aniline is Cc1ccc(-c2ccc(C3CCC(C4CCC(C)CC4)CC3)cc2)cc1N.
What is the InChIKey of 2-methyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]aniline?
The InChIKey is NSQWVAFAQWWOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N/c1-18-3-6-20(7-4-18)21-9-11-22(12-10-21)23-13-15-24(16-14-23)25-8-5-19(2)26(27)17-25/h5,8,13-18,20-22H,3-4,6-7,9-12,27H2,1-2H3.
What are the key properties of 2-methyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]aniline?
2-methyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]aniline has a molecular weight of 361.57 g/mol, XLogP of 7.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]aniline is sourced from PubChem (CID 143115116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).