5-ethyl-3-methylbenzene-1,2-diamine

C9H14N2 — CID 67923702

IUPAC5-ethyl-3-methylbenzene-1,2-diamine
SMILESCCc1cc(C)c(N)c(N)c1
InChIInChI=1S/C9H14N2/c1-3-7-4-6(2)9(11)8(10)5-7/h4-5H,3,10-11H2,1-2H3
InChIKeyMAGTUHYCZAICOI-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.72
Rot. Bonds1

About 5-ethyl-3-methylbenzene-1,2-diamine

5-ethyl-3-methylbenzene-1,2-diamine (PubChem CID 67923702) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 5-ethyl-3-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name5-ethyl-3-methylbenzene-1,2-diamine
PubChem CID67923702
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name5-ethyl-3-methylbenzene-1,2-diamine
SMILESCCc1cc(C)c(N)c(N)c1
InChIInChI=1S/C9H14N2/c1-3-7-4-6(2)9(11)8(10)5-7/h4-5H,3,10-11H2,1-2H3
InChIKeyMAGTUHYCZAICOI-UHFFFAOYSA-N
XLogP1.72
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.72
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

4-ethyl-2-iodo-6-methylaniline
CID 131491487
4-ethyl-2-methoxy-6-methylaniline
CID 131487767
2-(3,4-diamino-5-methylphenyl)acetic acid
CID 171013665
3,5-diethyl-2-methylaniline
CID 105432272
5-butan-2-yl-3-methylbenzene-1,2-diamine
CID 163588283
4-[(4-amino-3,5-diethylphenyl)methyl]-2-ethyl-6-methylaniline;4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylaniline;4-[(4-amino-3-ethyl-5-methylphenyl)methyl]-2-ethyl-6-methylaniline
CID 158632790
ethane;4-ethyl-2,6-dimethylphenol
CID 143343408
2,6-dibromo-4-ethylaniline
CID 14043928
4-ethyl-2,6-dimethylphenol;methane
CID 159618487
3-ethyl-2,5-dimethylbenzene-1,4-diamine;hydrochloride
CID 87710202
(5-ethyl-2,3-dimethylphenyl)methanamine
CID 117276223
2-chloro-4-ethyl-6-ethynylaniline
CID 89173781

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methylbenzene-1,2-diamine?
The IUPAC name of 5-ethyl-3-methylbenzene-1,2-diamine (CID 67923702) is 5-ethyl-3-methylbenzene-1,2-diamine.
What is the SMILES notation for 5-ethyl-3-methylbenzene-1,2-diamine?
The canonical SMILES for 5-ethyl-3-methylbenzene-1,2-diamine is CCc1cc(C)c(N)c(N)c1.
What is the InChIKey of 5-ethyl-3-methylbenzene-1,2-diamine?
The InChIKey is MAGTUHYCZAICOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-3-7-4-6(2)9(11)8(10)5-7/h4-5H,3,10-11H2,1-2H3.
What are the key properties of 5-ethyl-3-methylbenzene-1,2-diamine?
5-ethyl-3-methylbenzene-1,2-diamine has a molecular weight of 150.22 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methylbenzene-1,2-diamine is sourced from PubChem (CID 67923702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).