1-N-(3,4-dimethylphenyl)propane-1,2-diamine

C11H18N2 — CID 83695989

IUPAC1-N-(3,4-dimethylphenyl)propane-1,2-diamine
SMILESCc1ccc(NCC(C)N)cc1C
InChIInChI=1S/C11H18N2/c1-8-4-5-11(6-9(8)2)13-7-10(3)12/h4-6,10,13H,7,12H2,1-3H3
InChIKeyOORFFTZIQMHBDR-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.06
Rot. Bonds3

About 1-N-(3,4-dimethylphenyl)propane-1,2-diamine

1-N-(3,4-dimethylphenyl)propane-1,2-diamine (PubChem CID 83695989) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-N-(3,4-dimethylphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3,4-dimethylphenyl)propane-1,2-diamine
PubChem CID83695989
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-N-(3,4-dimethylphenyl)propane-1,2-diamine
SMILESCc1ccc(NCC(C)N)cc1C
InChIInChI=1S/C11H18N2/c1-8-4-5-11(6-9(8)2)13-7-10(3)12/h4-6,10,13H,7,12H2,1-3H3
InChIKeyOORFFTZIQMHBDR-UHFFFAOYSA-N
XLogP2.06
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(3,4-dimethylphenyl)butane-1,2-diamine
CID 83961425
N'-(3,4-dimethylphenyl)-2-fluoropropane-1,3-diamine;ethane
CID 145194727
2-amino-3-(3,4-dimethylanilino)propanoic acid
CID 103234153
3-(3,4-dimethylanilino)propane-1,2-diol
CID 76891516
3,4-dimethyl-N-[2-(4-methylphenoxy)propyl]aniline
CID 46736318
1-N-(4-chlorophenyl)propane-1,2-diamine
CID 18972775
(2R,3S,4R)-5-(3,4-dimethylanilino)pentane-1,2,3,4-tetrol
CID 688650
N'-butan-2-yl-N-(3,4-dimethylphenyl)ethane-1,2-diamine
CID 54806038
N'-(3,4-dimethylphenyl)butane-1,4-diamine
CID 94253623
1-N-(2,3,4-trimethylphenyl)propane-1,2-diamine
CID 115196344
methyl 2-acetamido-3-(3,4-dimethylanilino)propanoate
CID 103234166
1-N-(1,2-dimethylbenzimidazol-5-yl)propane-1,2-diamine
CID 115196322

Frequently Asked Questions

What is the IUPAC name of 1-N-(3,4-dimethylphenyl)propane-1,2-diamine?
The IUPAC name of 1-N-(3,4-dimethylphenyl)propane-1,2-diamine (CID 83695989) is 1-N-(3,4-dimethylphenyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(3,4-dimethylphenyl)propane-1,2-diamine?
The canonical SMILES for 1-N-(3,4-dimethylphenyl)propane-1,2-diamine is Cc1ccc(NCC(C)N)cc1C.
What is the InChIKey of 1-N-(3,4-dimethylphenyl)propane-1,2-diamine?
The InChIKey is OORFFTZIQMHBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-8-4-5-11(6-9(8)2)13-7-10(3)12/h4-6,10,13H,7,12H2,1-3H3.
What are the key properties of 1-N-(3,4-dimethylphenyl)propane-1,2-diamine?
1-N-(3,4-dimethylphenyl)propane-1,2-diamine has a molecular weight of 178.28 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,4-dimethylphenyl)propane-1,2-diamine is sourced from PubChem (CID 83695989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).