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

C15H18N2 — CID 114041167

IUPAC1-N-(2-ethylphenyl)-3-methylbenzene-1,2-diamine
SMILESCCc1ccccc1Nc1cccc(C)c1N
InChIInChI=1S/C15H18N2/c1-3-12-8-4-5-9-13(12)17-14-10-6-7-11(2)15(14)16/h4-10,17H,3,16H2,1-2H3
InChIKeyDHWTTZXRXIIFHF-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.88
Rot. Bonds3

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

1-N-(2-ethylphenyl)-3-methylbenzene-1,2-diamine (PubChem CID 114041167) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-N-(2-ethylphenyl)-3-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-ethylphenyl)-3-methylbenzene-1,2-diamine
PubChem CID114041167
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name1-N-(2-ethylphenyl)-3-methylbenzene-1,2-diamine
SMILESCCc1ccccc1Nc1cccc(C)c1N
InChIInChI=1S/C15H18N2/c1-3-12-8-4-5-9-13(12)17-14-10-6-7-11(2)15(14)16/h4-10,17H,3,16H2,1-2H3
InChIKeyDHWTTZXRXIIFHF-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

3-methyl-1-N-phenylbenzene-1,2-diamine
CID 53424314
2-amino-3-(2-ethylanilino)benzamide
CID 113332482
methyl 2-amino-3-(2-ethylanilino)benzoate
CID 115544520
1-N-[2-(dimethylamino)phenyl]-3-methylbenzene-1,2-diamine
CID 114041371
4-N-(2-ethylphenyl)-6-N-phenylpyrimidine-4,5,6-triamine
CID 22544115
4-N-(2-ethylphenyl)-1H-pyrazole-4,5-diamine
CID 82236252
4-N-(2-ethylphenyl)-1-N-methylbenzene-1,4-diamine
CID 117027221
5-amino-2-(2-ethylanilino)benzamide
CID 61306914
N-[(2,3-dimethylphenyl)methyl]-2-ethylaniline
CID 55197489
4-chloro-2-N-(2-ethylphenyl)benzene-1,2-diamine
CID 115468565
5-amino-3-(2-ethylanilino)-2-methylbenzenesulfonamide
CID 79899523
4-(2-ethylanilino)benzenethiol
CID 166755248

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-ethylphenyl)-3-methylbenzene-1,2-diamine?
The IUPAC name of 1-N-(2-ethylphenyl)-3-methylbenzene-1,2-diamine (CID 114041167) is 1-N-(2-ethylphenyl)-3-methylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-(2-ethylphenyl)-3-methylbenzene-1,2-diamine?
The canonical SMILES for 1-N-(2-ethylphenyl)-3-methylbenzene-1,2-diamine is CCc1ccccc1Nc1cccc(C)c1N.
What is the InChIKey of 1-N-(2-ethylphenyl)-3-methylbenzene-1,2-diamine?
The InChIKey is DHWTTZXRXIIFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-3-12-8-4-5-9-13(12)17-14-10-6-7-11(2)15(14)16/h4-10,17H,3,16H2,1-2H3.
What are the key properties of 1-N-(2-ethylphenyl)-3-methylbenzene-1,2-diamine?
1-N-(2-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 1-N-(2-ethylphenyl)-3-methylbenzene-1,2-diamine is sourced from PubChem (CID 114041167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).