1-N-(2-methylphenyl)butane-1,2-diamine

C11H18N2 — CID 19374458

IUPAC1-N-(2-methylphenyl)butane-1,2-diamine
SMILESCCC(N)CNc1ccccc1C
InChIInChI=1S/C11H18N2/c1-3-10(12)8-13-11-7-5-4-6-9(11)2/h4-7,10,13H,3,8,12H2,1-2H3
InChIKeyFTBRFRQBQJKNPZ-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.14
Rot. Bonds4

About 1-N-(2-methylphenyl)butane-1,2-diamine

1-N-(2-methylphenyl)butane-1,2-diamine (PubChem CID 19374458) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-N-(2-methylphenyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-methylphenyl)butane-1,2-diamine
PubChem CID19374458
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-N-(2-methylphenyl)butane-1,2-diamine
SMILESCCC(N)CNc1ccccc1C
InChIInChI=1S/C11H18N2/c1-3-10(12)8-13-11-7-5-4-6-9(11)2/h4-7,10,13H,3,8,12H2,1-2H3
InChIKeyFTBRFRQBQJKNPZ-UHFFFAOYSA-N
XLogP2.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 175798397
CID 175798397
1-N-(3,4-dimethylphenyl)butane-1,2-diamine
CID 83961425
1-N-(3-methylquinolin-2-yl)butane-1,2-diamine
CID 63730578
2-methyl-N-(3-methyl-2-phenylbutyl)aniline
CID 107875833
1-N,2-N,4-N-tris(2-methylphenyl)butane-1,2,4-triamine
CID 57204842
2-(2-methylanilino)-1-(2,4,6-trimethylphenyl)ethanol
CID 82123675
N-(2-butan-2-ylsulfanylethyl)-2-methylaniline
CID 62577344
2-(2-methylanilino)acetonitrile
CID 28018
1-N-(4-ethylphenyl)butane-1,2-diamine
CID 83961853

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methylphenyl)butane-1,2-diamine?
The IUPAC name of 1-N-(2-methylphenyl)butane-1,2-diamine (CID 19374458) is 1-N-(2-methylphenyl)butane-1,2-diamine.
What is the SMILES notation for 1-N-(2-methylphenyl)butane-1,2-diamine?
The canonical SMILES for 1-N-(2-methylphenyl)butane-1,2-diamine is CCC(N)CNc1ccccc1C.
What is the InChIKey of 1-N-(2-methylphenyl)butane-1,2-diamine?
The InChIKey is FTBRFRQBQJKNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-3-10(12)8-13-11-7-5-4-6-9(11)2/h4-7,10,13H,3,8,12H2,1-2H3.
What are the key properties of 1-N-(2-methylphenyl)butane-1,2-diamine?
1-N-(2-methylphenyl)butane-1,2-diamine has a molecular weight of 178.28 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methylphenyl)butane-1,2-diamine is sourced from PubChem (CID 19374458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).