3-ethyl-2-methylaniline

C9H13N — CID 19879636

IUPAC3-ethyl-2-methylaniline
SMILESCCc1cccc(N)c1C
InChIInChI=1S/C9H13N/c1-3-8-5-4-6-9(10)7(8)2/h4-6H,3,10H2,1-2H3
InChIKeyGDJLLPTUSIUMOM-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.14
Rot. Bonds1

About 3-ethyl-2-methylaniline

3-ethyl-2-methylaniline (PubChem CID 19879636) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 3-ethyl-2-methylaniline.

Molecular Properties

Compound Name3-ethyl-2-methylaniline
PubChem CID19879636
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name3-ethyl-2-methylaniline
SMILESCCc1cccc(N)c1C
InChIInChI=1S/C9H13N/c1-3-8-5-4-6-9(10)7(8)2/h4-6H,3,10H2,1-2H3
InChIKeyGDJLLPTUSIUMOM-UHFFFAOYSA-N
XLogP2.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-amino-2-methylphenyl)acetaldehyde
CID 174431818
3-[(2-ethylphenoxy)methyl]-2-methylaniline
CID 43509418
ethane;2-ethylaniline
CID 90841248
2-ethylaniline;propane
CID 143529464
3-(methoxymethyl)-2-methylaniline
CID 14801184
2-methyl-3-[[methyl(pentyl)amino]methyl]aniline
CID 43509178
N-[(3-amino-2-methylphenyl)methyl]propane-1-sulfonamide
CID 103110469
3-[(4-ethylphenoxy)methyl]-2-methylaniline
CID 43509295
3-(2-ethoxyethoxymethyl)-2-methylaniline
CID 43509333
3-(tert-butylsulfonylmethyl)-2-methylaniline
CID 43509140
2,6-diethylaniline;propane
CID 174429495
2,6-diethylaniline;iron(2+)
CID 175873065

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methylaniline?
The IUPAC name of 3-ethyl-2-methylaniline (CID 19879636) is 3-ethyl-2-methylaniline.
What is the SMILES notation for 3-ethyl-2-methylaniline?
The canonical SMILES for 3-ethyl-2-methylaniline is CCc1cccc(N)c1C.
What is the InChIKey of 3-ethyl-2-methylaniline?
The InChIKey is GDJLLPTUSIUMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-3-8-5-4-6-9(10)7(8)2/h4-6H,3,10H2,1-2H3.
What are the key properties of 3-ethyl-2-methylaniline?
3-ethyl-2-methylaniline has a molecular weight of 135.21 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methylaniline is sourced from PubChem (CID 19879636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).