2-methyl-2-N-[(4-propan-2-ylphenyl)methyl]propane-1,2-diamine

C14H24N2 — CID 115131859

IUPAC2-methyl-2-N-[(4-propan-2-ylphenyl)methyl]propane-1,2-diamine
SMILESCC(C)c1ccc(CNC(C)(C)CN)cc1
InChIInChI=1S/C14H24N2/c1-11(2)13-7-5-12(6-8-13)9-16-14(3,4)10-15/h5-8,11,16H,9-10,15H2,1-4H3
InChIKeyJEGAJMCMQIZKOA-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.64
Rot. Bonds5

About 2-methyl-2-N-[(4-propan-2-ylphenyl)methyl]propane-1,2-diamine

2-methyl-2-N-[(4-propan-2-ylphenyl)methyl]propane-1,2-diamine (PubChem CID 115131859) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-methyl-2-N-[(4-propan-2-ylphenyl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-methyl-2-N-[(4-propan-2-ylphenyl)methyl]propane-1,2-diamine
PubChem CID115131859
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-methyl-2-N-[(4-propan-2-ylphenyl)methyl]propane-1,2-diamine
SMILESCC(C)c1ccc(CNC(C)(C)CN)cc1
InChIInChI=1S/C14H24N2/c1-11(2)13-7-5-12(6-8-13)9-16-14(3,4)10-15/h5-8,11,16H,9-10,15H2,1-4H3
InChIKeyJEGAJMCMQIZKOA-UHFFFAOYSA-N
XLogP2.64
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-2-N-[(4-propan-2-ylphenyl)methyl]propane-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

3-methyl-N-[(4-propan-2-ylphenyl)methyl]pentan-3-amine
CID 106328140
3-ethyl-N-[(4-propan-2-ylphenyl)methyl]pentan-3-amine
CID 65039298
2-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2-methylpropane-1,2-diamine
CID 115131889
N,2,2-trimethyl-1-(4-propan-2-ylphenyl)propane-1,3-diamine
CID 116948977
2-N-[[4-(difluoromethyl)phenyl]methyl]-2,3-dimethylbutane-1,2-diamine
CID 120966511
2-N-[(3-chloro-4-fluorophenyl)methyl]-2-methylpropane-1,2-diamine
CID 115131945
4-[[(4-propan-2-ylphenyl)methylamino]methyl]aniline
CID 115212458
N-[(2-methylpropan-2-yl)oxy]-1-(4-propan-2-ylphenyl)methanamine
CID 82719677
2-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpropane-1,2-diamine
CID 115131868
1-chloro-2-(chloromethyl)-N-[(4-propan-2-ylphenyl)methyl]butan-2-amine
CID 107867136
2-methyl-2-N-(1H-pyrrol-3-ylmethyl)propane-1,2-diamine
CID 115131923
3-methyl-3-N-[(4-propan-2-ylsulfanylphenyl)methyl]butane-1,3-diamine
CID 115134739

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-N-[(4-propan-2-ylphenyl)methyl]propane-1,2-diamine?
The IUPAC name of 2-methyl-2-N-[(4-propan-2-ylphenyl)methyl]propane-1,2-diamine (CID 115131859) is 2-methyl-2-N-[(4-propan-2-ylphenyl)methyl]propane-1,2-diamine.
What is the SMILES notation for 2-methyl-2-N-[(4-propan-2-ylphenyl)methyl]propane-1,2-diamine?
The canonical SMILES for 2-methyl-2-N-[(4-propan-2-ylphenyl)methyl]propane-1,2-diamine is CC(C)c1ccc(CNC(C)(C)CN)cc1.
What is the InChIKey of 2-methyl-2-N-[(4-propan-2-ylphenyl)methyl]propane-1,2-diamine?
The InChIKey is JEGAJMCMQIZKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-11(2)13-7-5-12(6-8-13)9-16-14(3,4)10-15/h5-8,11,16H,9-10,15H2,1-4H3.
What are the key properties of 2-methyl-2-N-[(4-propan-2-ylphenyl)methyl]propane-1,2-diamine?
2-methyl-2-N-[(4-propan-2-ylphenyl)methyl]propane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-N-[(4-propan-2-ylphenyl)methyl]propane-1,2-diamine is sourced from PubChem (CID 115131859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).