1-(4-tert-butyl-2-methylphenyl)-1-N-methylpropane-1,2-diamine

C15H26N2 — CID 116948125

IUPAC1-(4-tert-butyl-2-methylphenyl)-1-N-methylpropane-1,2-diamine
SMILESCNC(c1ccc(C(C)(C)C)cc1C)C(C)N
InChIInChI=1S/C15H26N2/c1-10-9-12(15(3,4)5)7-8-13(10)14(17-6)11(2)16/h7-9,11,14,17H,16H2,1-6H3
InChIKeyDMQQNPWEBMZLMH-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.90
Rot. Bonds3

About 1-(4-tert-butyl-2-methylphenyl)-1-N-methylpropane-1,2-diamine

1-(4-tert-butyl-2-methylphenyl)-1-N-methylpropane-1,2-diamine (PubChem CID 116948125) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-(4-tert-butyl-2-methylphenyl)-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(4-tert-butyl-2-methylphenyl)-1-N-methylpropane-1,2-diamine
PubChem CID116948125
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-(4-tert-butyl-2-methylphenyl)-1-N-methylpropane-1,2-diamine
SMILESCNC(c1ccc(C(C)(C)C)cc1C)C(C)N
InChIInChI=1S/C15H26N2/c1-10-9-12(15(3,4)5)7-8-13(10)14(17-6)11(2)16/h7-9,11,14,17H,16H2,1-6H3
InChIKeyDMQQNPWEBMZLMH-UHFFFAOYSA-N
XLogP2.90
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-tert-butyl-2-methylphenyl)-1-N-methylpropane-1,2-diamine 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

1-(4-tert-butyl-2-methylphenyl)-1-(methylamino)propan-2-ol
CID 116859476
1-(4-tert-butylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948029
1-(4-tert-butyl-2-methylphenyl)-2-chloroethanamine
CID 116937590
(1R)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 129373327
1-(4-tert-butyl-2-methylphenyl)-N,N-dimethylethane-1,2-diamine
CID 82496475
2-amino-2-(4-tert-butyl-2-methylphenyl)acetamide
CID 116850789
2-methoxy-N,3,3-trimethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]butan-1-amine
CID 102755235
3-(4-tert-butyl-2-methylphenyl)-3-(methylamino)propanenitrile
CID 116955178
2-[4-[(1S)-1-aminoethyl]-3-methylphenyl]-2-methylpropanenitrile
CID 58298501
4-(4-tert-butyl-2-methylphenyl)-4-(methylamino)butan-2-one
CID 116956060
2-[(1S)-1-aminoethyl]-4-tert-butylaniline
CID 130769790
1-N-methyl-1-(2,4,6-trimethylphenyl)propane-1,2-diamine
CID 116948064

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-2-methylphenyl)-1-N-methylpropane-1,2-diamine?
The IUPAC name of 1-(4-tert-butyl-2-methylphenyl)-1-N-methylpropane-1,2-diamine (CID 116948125) is 1-(4-tert-butyl-2-methylphenyl)-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-(4-tert-butyl-2-methylphenyl)-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-(4-tert-butyl-2-methylphenyl)-1-N-methylpropane-1,2-diamine is CNC(c1ccc(C(C)(C)C)cc1C)C(C)N.
What is the InChIKey of 1-(4-tert-butyl-2-methylphenyl)-1-N-methylpropane-1,2-diamine?
The InChIKey is DMQQNPWEBMZLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-10-9-12(15(3,4)5)7-8-13(10)14(17-6)11(2)16/h7-9,11,14,17H,16H2,1-6H3.
What are the key properties of 1-(4-tert-butyl-2-methylphenyl)-1-N-methylpropane-1,2-diamine?
1-(4-tert-butyl-2-methylphenyl)-1-N-methylpropane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-2-methylphenyl)-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 116948125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).