2-N-(3-ethylphenyl)-3-methylbenzene-1,2-diamine

C15H18N2 — CID 113333679

IUPAC2-N-(3-ethylphenyl)-3-methylbenzene-1,2-diamine
SMILESCCc1cccc(Nc2c(C)cccc2N)c1
InChIInChI=1S/C15H18N2/c1-3-12-7-5-8-13(10-12)17-15-11(2)6-4-9-14(15)16/h4-10,17H,3,16H2,1-2H3
InChIKeyMDBFREJHVMLQGY-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.88
Rot. Bonds3

About 2-N-(3-ethylphenyl)-3-methylbenzene-1,2-diamine

2-N-(3-ethylphenyl)-3-methylbenzene-1,2-diamine (PubChem CID 113333679) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-N-(3-ethylphenyl)-3-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-ethylphenyl)-3-methylbenzene-1,2-diamine
PubChem CID113333679
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name2-N-(3-ethylphenyl)-3-methylbenzene-1,2-diamine
SMILESCCc1cccc(Nc2c(C)cccc2N)c1
InChIInChI=1S/C15H18N2/c1-3-12-7-5-8-13(10-12)17-15-11(2)6-4-9-14(15)16/h4-10,17H,3,16H2,1-2H3
InChIKeyMDBFREJHVMLQGY-UHFFFAOYSA-N
XLogP3.88
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.88
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

N-[3-(aminomethyl)phenyl]-2-ethyl-6-methylaniline
CID 117027291
2,6-diethyl-N-(3-ethylphenyl)aniline
CID 139833761
1-N-(3-ethylphenyl)-2-methylbenzene-1,4-diamine
CID 43165595
2-N-(4-ethoxy-3-methylphenyl)-3-methylbenzene-1,2-diamine
CID 115125939
3-ethyl-N-(4-methylphenyl)aniline
CID 139833776
2-N-(3-ethylphenyl)-4-methylpyridine-2,3-diamine
CID 20714444
3-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,2-diamine
CID 115125922
methyl 3-amino-2-[3-(methoxymethyl)anilino]benzoate
CID 115934435
1-[2-amino-4-(3-ethylanilino)phenyl]ethanone
CID 104528330
2-N-(3-chloro-4-methoxyphenyl)-3-methylbenzene-1,2-diamine
CID 113333668
5-(2-amino-6-methylanilino)-1,3-dihydrobenzimidazol-2-one
CID 115125959
6-chloro-2-N-(3-ethylphenyl)pyridine-2,3-diamine
CID 113316737

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-ethylphenyl)-3-methylbenzene-1,2-diamine?
The IUPAC name of 2-N-(3-ethylphenyl)-3-methylbenzene-1,2-diamine (CID 113333679) is 2-N-(3-ethylphenyl)-3-methylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-(3-ethylphenyl)-3-methylbenzene-1,2-diamine?
The canonical SMILES for 2-N-(3-ethylphenyl)-3-methylbenzene-1,2-diamine is CCc1cccc(Nc2c(C)cccc2N)c1.
What is the InChIKey of 2-N-(3-ethylphenyl)-3-methylbenzene-1,2-diamine?
The InChIKey is MDBFREJHVMLQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-3-12-7-5-8-13(10-12)17-15-11(2)6-4-9-14(15)16/h4-10,17H,3,16H2,1-2H3.
What are the key properties of 2-N-(3-ethylphenyl)-3-methylbenzene-1,2-diamine?
2-N-(3-ethylphenyl)-3-methylbenzene-1,2-diamine has a molecular weight of 226.32 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-ethylphenyl)-3-methylbenzene-1,2-diamine is sourced from PubChem (CID 113333679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).