1-(4-ethylphenyl)-2-methylpropane-1,3-diamine

C12H20N2 — CID 116933036

IUPAC1-(4-ethylphenyl)-2-methylpropane-1,3-diamine
SMILESCCc1ccc(C(N)C(C)CN)cc1
InChIInChI=1S/C12H20N2/c1-3-10-4-6-11(7-5-10)12(14)9(2)8-13/h4-7,9,12H,3,8,13-14H2,1-2H3
InChIKeyKOWFDFVCYSLWKP-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.84
Rot. Bonds4

About 1-(4-ethylphenyl)-2-methylpropane-1,3-diamine

1-(4-ethylphenyl)-2-methylpropane-1,3-diamine (PubChem CID 116933036) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-methylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-methylpropane-1,3-diamine
PubChem CID116933036
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-(4-ethylphenyl)-2-methylpropane-1,3-diamine
SMILESCCc1ccc(C(N)C(C)CN)cc1
InChIInChI=1S/C12H20N2/c1-3-10-4-6-11(7-5-10)12(14)9(2)8-13/h4-7,9,12H,3,8,13-14H2,1-2H3
InChIKeyKOWFDFVCYSLWKP-UHFFFAOYSA-N
XLogP1.84
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-ethylphenyl)-2-methylpropane-1,3-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

(1R)-1-(4-ethylphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171211240
(1R,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol
CID 93284110
1-(4-ethylsulfanylphenyl)-2-methylpropane-1,3-diamine
CID 116933128
(1R)-1-(4-ethylphenyl)ethane-1,2-diamine
CID 66516086
(1R)-1-(4-ethylphenyl)ethanamine
CID 2063952
(1S,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol;hydrochloride
CID 171270161
(2S)-2-(4-ethylphenyl)-2-fluoroethanamine
CID 129393037
3-(4-ethylphenyl)butan-2-amine
CID 66439374
2-methyl-1-(4-methylsulfonylphenyl)propane-1,3-diamine
CID 116933127
(1S)-2-amino-1-(4-ethylphenyl)ethanol
CID 42182576
(1S)-1-[4-[(4-ethylphenyl)methyl]phenyl]ethanamine
CID 174082683
4-(4-ethylphenyl)-3-methylpentan-1-amine
CID 83922583

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-methylpropane-1,3-diamine?
The IUPAC name of 1-(4-ethylphenyl)-2-methylpropane-1,3-diamine (CID 116933036) is 1-(4-ethylphenyl)-2-methylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-ethylphenyl)-2-methylpropane-1,3-diamine?
The canonical SMILES for 1-(4-ethylphenyl)-2-methylpropane-1,3-diamine is CCc1ccc(C(N)C(C)CN)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-methylpropane-1,3-diamine?
The InChIKey is KOWFDFVCYSLWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-3-10-4-6-11(7-5-10)12(14)9(2)8-13/h4-7,9,12H,3,8,13-14H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-2-methylpropane-1,3-diamine?
1-(4-ethylphenyl)-2-methylpropane-1,3-diamine has a molecular weight of 192.31 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-methylpropane-1,3-diamine is sourced from PubChem (CID 116933036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).