1-(3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine

C13H22N2 — CID 116945810

IUPAC1-(3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine
SMILESCc1cccc(C(N)C(CN)C(C)C)c1
InChIInChI=1S/C13H22N2/c1-9(2)12(8-14)13(15)11-6-4-5-10(3)7-11/h4-7,9,12-13H,8,14-15H2,1-3H3
InChIKeyVUMULALNFRPKJH-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.23
Rot. Bonds4

About 1-(3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine

1-(3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine (PubChem CID 116945810) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-(3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine
PubChem CID116945810
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-(3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine
SMILESCc1cccc(C(N)C(CN)C(C)C)c1
InChIInChI=1S/C13H22N2/c1-9(2)12(8-14)13(15)11-6-4-5-10(3)7-11/h4-7,9,12-13H,8,14-15H2,1-3H3
InChIKeyVUMULALNFRPKJH-UHFFFAOYSA-N
XLogP2.23
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3-methylphenyl)-2-propan-2-ylpropane-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)-2-methyl-1-(3-methylphenyl)propan-1-amine
CID 45072365
3,3,3-trifluoro-1-(3-methylphenyl)-2-(trifluoromethyl)propan-1-amine
CID 103311689
1-(difluoromethyl)-3-methylbenzene;ethane;1,3-xylene
CID 177243602
2-[amino-(3-methylphenyl)methyl]-3-methylbutanenitrile
CID 116946394
4-amino-3-(3-methylphenyl)butan-2-ol
CID 65187843
3,3,3-trifluoro-2-(3-methylphenyl)propan-1-amine
CID 79016159
(1R)-3-fluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride
CID 171209882
(1S,2R)-1-amino-5-methyl-1-(3-methylphenyl)hexan-2-ol
CID 171269761
(1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine
CID 93312698
4-(3-methylphenyl)pentan-2-amine
CID 64719404
(3-methylphenyl)methanediamine;dihydrochloride
CID 67649251
(1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine;hydrochloride
CID 171249716

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of 1-(3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine (CID 116945810) is 1-(3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for 1-(3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for 1-(3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine is Cc1cccc(C(N)C(CN)C(C)C)c1.
What is the InChIKey of 1-(3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is VUMULALNFRPKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-9(2)12(8-14)13(15)11-6-4-5-10(3)7-11/h4-7,9,12-13H,8,14-15H2,1-3H3.
What are the key properties of 1-(3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine?
1-(3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 116945810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).