2-(4-tert-butylphenyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine

C20H33N — CID 106829968

IUPAC2-(4-tert-butylphenyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine
SMILESCNC(Cc1ccc(C(C)(C)C)cc1)C1(C)CCCCC1
InChIInChI=1S/C20H33N/c1-19(2,3)17-11-9-16(10-12-17)15-18(21-5)20(4)13-7-6-8-14-20/h9-12,18,21H,6-8,13-15H2,1-5H3
InChIKeyYGELVZQQUMCBMO-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.09
Rot. Bonds4

About 2-(4-tert-butylphenyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine

2-(4-tert-butylphenyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine (PubChem CID 106829968) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine
PubChem CID106829968
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name2-(4-tert-butylphenyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine
SMILESCNC(Cc1ccc(C(C)(C)C)cc1)C1(C)CCCCC1
InChIInChI=1S/C20H33N/c1-19(2,3)17-11-9-16(10-12-17)15-18(21-5)20(4)13-7-6-8-14-20/h9-12,18,21H,6-8,13-15H2,1-5H3
InChIKeyYGELVZQQUMCBMO-UHFFFAOYSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(4-tert-butylphenyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

Methamphetamine
CID 10836
Mephentermine
CID 3677
Protriptyline
CID 4976
Levmetamfetamine
CID 36604
Terodiline
CID 23480
(+)-Methamphetamine hydrochloride
CID 66124
Prenylamine
CID 9801
Terodiline Hydrochloride
CID 23479
N-Ethylamphetamine
CID 9982
N-ethyl-1-phenylcyclohexanamine
CID 16622
Phenpromethamine
CID 22276
Norbenzphetamine
CID 102554

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine?
The IUPAC name of 2-(4-tert-butylphenyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine (CID 106829968) is 2-(4-tert-butylphenyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine?
The canonical SMILES for 2-(4-tert-butylphenyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine is CNC(Cc1ccc(C(C)(C)C)cc1)C1(C)CCCCC1.
What is the InChIKey of 2-(4-tert-butylphenyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine?
The InChIKey is YGELVZQQUMCBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-19(2,3)17-11-9-16(10-12-17)15-18(21-5)20(4)13-7-6-8-14-20/h9-12,18,21H,6-8,13-15H2,1-5H3.
What are the key properties of 2-(4-tert-butylphenyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine?
2-(4-tert-butylphenyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine has a molecular weight of 287.49 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine is sourced from PubChem (CID 106829968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).