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

C12H20N2 — CID 83961425

IUPAC1-N-(3,4-dimethylphenyl)butane-1,2-diamine
SMILESCCC(N)CNc1ccc(C)c(C)c1
InChIInChI=1S/C12H20N2/c1-4-11(13)8-14-12-6-5-9(2)10(3)7-12/h5-7,11,14H,4,8,13H2,1-3H3
InChIKeyYINSIJUAHBTBTC-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.45
Rot. Bonds4

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

1-N-(3,4-dimethylphenyl)butane-1,2-diamine (PubChem CID 83961425) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-N-(3,4-dimethylphenyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3,4-dimethylphenyl)butane-1,2-diamine
PubChem CID83961425
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-N-(3,4-dimethylphenyl)butane-1,2-diamine
SMILESCCC(N)CNc1ccc(C)c(C)c1
InChIInChI=1S/C12H20N2/c1-4-11(13)8-14-12-6-5-9(2)10(3)7-12/h5-7,11,14H,4,8,13H2,1-3H3
InChIKeyYINSIJUAHBTBTC-UHFFFAOYSA-N
XLogP2.45
TPSA38.05 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 ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(3,4-dimethylphenyl)propane-1,2-diamine
CID 83695989
2-amino-3-(3,4-dimethylanilino)propanoic acid
CID 103234153
1-N-(4-ethylphenyl)butane-1,2-diamine
CID 83961853
N'-(3,4-dimethylphenyl)-2-fluoropropane-1,3-diamine;ethane
CID 145194727
1-N-(3-chlorophenyl)butane-1,2-diamine
CID 83944476
3-(3,4-dimethylanilino)propane-1,2-diol
CID 76891516
N'-butan-2-yl-N-(3,4-dimethylphenyl)ethane-1,2-diamine
CID 54806038
1-N-(3-chloro-4-methylphenyl)hexane-1,2-diamine
CID 83951009
1-[4-(2-aminobutylamino)phenyl]ethanol
CID 83962947
1-N-(2-methylphenyl)butane-1,2-diamine
CID 19374458
(2R,3S,4R)-5-(3,4-dimethylanilino)pentane-1,2,3,4-tetrol
CID 688650
1-N-(3-nitrophenyl)butane-1,2-diamine
CID 63730793

Frequently Asked Questions

What is the IUPAC name of 1-N-(3,4-dimethylphenyl)butane-1,2-diamine?
The IUPAC name of 1-N-(3,4-dimethylphenyl)butane-1,2-diamine (CID 83961425) is 1-N-(3,4-dimethylphenyl)butane-1,2-diamine.
What is the SMILES notation for 1-N-(3,4-dimethylphenyl)butane-1,2-diamine?
The canonical SMILES for 1-N-(3,4-dimethylphenyl)butane-1,2-diamine is CCC(N)CNc1ccc(C)c(C)c1.
What is the InChIKey of 1-N-(3,4-dimethylphenyl)butane-1,2-diamine?
The InChIKey is YINSIJUAHBTBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-11(13)8-14-12-6-5-9(2)10(3)7-12/h5-7,11,14H,4,8,13H2,1-3H3.
What are the key properties of 1-N-(3,4-dimethylphenyl)butane-1,2-diamine?
1-N-(3,4-dimethylphenyl)butane-1,2-diamine has a molecular weight of 192.31 g/mol, XLogP of 2.45, 4 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)butane-1,2-diamine is sourced from PubChem (CID 83961425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).