3-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine

C11H18N2 — CID 82668611

IUPAC3-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine
SMILESCc1cccc(N)c1NCC(C)C
InChIInChI=1S/C11H18N2/c1-8(2)7-13-11-9(3)5-4-6-10(11)12/h4-6,8,13H,7,12H2,1-3H3
InChIKeyXFCNONNJHAUSPP-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.65
Rot. Bonds3

About 3-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine

3-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine (PubChem CID 82668611) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 3-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine
PubChem CID82668611
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name3-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine
SMILESCc1cccc(N)c1NCC(C)C
InChIInChI=1S/C11H18N2/c1-8(2)7-13-11-9(3)5-4-6-10(11)12/h4-6,8,13H,7,12H2,1-3H3
InChIKeyXFCNONNJHAUSPP-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-N-(2,3,3-trimethylbutyl)benzene-1,2-diamine
CID 83142598
3-amino-2-(2-methylpropylamino)benzoic acid
CID 112577622
2-N-[2-[di(propan-2-yl)amino]ethyl]-3-methylbenzene-1,2-diamine
CID 113333660
2-N-(3-ethylpentan-2-yl)-3-methylbenzene-1,2-diamine
CID 115550554
2-hydrazinyl-3-methylaniline
CID 118990747
2-N-tert-butyl-3-methylbenzene-1,2-diamine
CID 70363393
3-methyl-2-N-[(2-methyl-5-propan-2-ylphenyl)methyl]benzene-1,2-diamine
CID 115126067
2-methylaniline;2-methylpropan-1-amine
CID 22279170
1-(2-amino-6-methylanilino)-2-methylbutan-2-ol
CID 115550619
(2S)-2-(2-amino-6-methylanilino)-3-methylbutan-1-ol
CID 115550688
2-N-(2-ethoxyethyl)-3-methylbenzene-1,2-diamine
CID 115550147
2-(2-amino-6-methylanilino)propane-1,3-diol
CID 115550630

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine?
The IUPAC name of 3-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine (CID 82668611) is 3-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine.
What is the SMILES notation for 3-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine?
The canonical SMILES for 3-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine is Cc1cccc(N)c1NCC(C)C.
What is the InChIKey of 3-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine?
The InChIKey is XFCNONNJHAUSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-8(2)7-13-11-9(3)5-4-6-10(11)12/h4-6,8,13H,7,12H2,1-3H3.
What are the key properties of 3-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine?
3-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine has a molecular weight of 178.28 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine is sourced from PubChem (CID 82668611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).