[4-tert-butyl-1-[(4-methylphenyl)methyl]cyclohexyl]methanamine

C19H31N — CID 63523406

IUPAC[4-tert-butyl-1-[(4-methylphenyl)methyl]cyclohexyl]methanamine
SMILESCc1ccc(CC2(CN)CCC(C(C)(C)C)CC2)cc1
InChIInChI=1S/C19H31N/c1-15-5-7-16(8-6-15)13-19(14-20)11-9-17(10-12-19)18(2,3)4/h5-8,17H,9-14,20H2,1-4H3
InChIKeyOFMDTNKTYLXXSA-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.72
Rot. Bonds3

About [4-tert-butyl-1-[(4-methylphenyl)methyl]cyclohexyl]methanamine

[4-tert-butyl-1-[(4-methylphenyl)methyl]cyclohexyl]methanamine (PubChem CID 63523406) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is [4-tert-butyl-1-[(4-methylphenyl)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-1-[(4-methylphenyl)methyl]cyclohexyl]methanamine
PubChem CID63523406
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name[4-tert-butyl-1-[(4-methylphenyl)methyl]cyclohexyl]methanamine
SMILESCc1ccc(CC2(CN)CCC(C(C)(C)C)CC2)cc1
InChIInChI=1S/C19H31N/c1-15-5-7-16(8-6-15)13-19(14-20)11-9-17(10-12-19)18(2,3)4/h5-8,17H,9-14,20H2,1-4H3
InChIKeyOFMDTNKTYLXXSA-UHFFFAOYSA-N
XLogP4.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [4-tert-butyl-1-[(4-methylphenyl)methyl]cyclohexyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-1-[(4-methylphenyl)methyl]cyclohexyl]methanamine?
The IUPAC name of [4-tert-butyl-1-[(4-methylphenyl)methyl]cyclohexyl]methanamine (CID 63523406) is [4-tert-butyl-1-[(4-methylphenyl)methyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-tert-butyl-1-[(4-methylphenyl)methyl]cyclohexyl]methanamine?
The canonical SMILES for [4-tert-butyl-1-[(4-methylphenyl)methyl]cyclohexyl]methanamine is Cc1ccc(CC2(CN)CCC(C(C)(C)C)CC2)cc1.
What is the InChIKey of [4-tert-butyl-1-[(4-methylphenyl)methyl]cyclohexyl]methanamine?
The InChIKey is OFMDTNKTYLXXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-15-5-7-16(8-6-15)13-19(14-20)11-9-17(10-12-19)18(2,3)4/h5-8,17H,9-14,20H2,1-4H3.
What are the key properties of [4-tert-butyl-1-[(4-methylphenyl)methyl]cyclohexyl]methanamine?
[4-tert-butyl-1-[(4-methylphenyl)methyl]cyclohexyl]methanamine has a molecular weight of 273.46 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-1-[(4-methylphenyl)methyl]cyclohexyl]methanamine is sourced from PubChem (CID 63523406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).