3,5-diethyl-2-methylaniline

C11H17N — CID 105432272

IUPAC3,5-diethyl-2-methylaniline
SMILESCCc1cc(N)c(C)c(CC)c1
InChIInChI=1S/C11H17N/c1-4-9-6-10(5-2)8(3)11(12)7-9/h6-7H,4-5,12H2,1-3H3
InChIKeyGCDOMIMABUIBDL-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.70
Rot. Bonds2

About 3,5-diethyl-2-methylaniline

3,5-diethyl-2-methylaniline (PubChem CID 105432272) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 3,5-diethyl-2-methylaniline.

Molecular Properties

Compound Name3,5-diethyl-2-methylaniline
PubChem CID105432272
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name3,5-diethyl-2-methylaniline
SMILESCCc1cc(N)c(C)c(CC)c1
InChIInChI=1S/C11H17N/c1-4-9-6-10(5-2)8(3)11(12)7-9/h6-7H,4-5,12H2,1-3H3
InChIKeyGCDOMIMABUIBDL-UHFFFAOYSA-N
XLogP2.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,5-diethyl-2-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-5-methoxy-2-methylaniline
CID 131487769
5-(difluoromethyl)-3-ethyl-2-methylaniline
CID 134183684
5-ethyl-3-methylbenzene-1,2-diamine
CID 67923702
5-[(3,5-dimethylphenyl)methyl]-1,3-diethyl-2-methylbenzene
CID 145013287
(5-ethyl-2,3-dimethylphenyl)methanamine
CID 117276223
4-[(4-amino-3-ethylphenyl)methyl]-2-methylaniline
CID 22061774
(2,4,6-triethylphenyl)aluminum(2+)
CID 22768319
ethyl 2,4,6-triethylbenzoate
CID 12702183
3-ethyl-2-methylaniline
CID 19879636
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
1-(3-amino-5-ethyl-4-methylphenyl)ethanone;ethane;3-methoxyprop-1-ene
CID 143173095
2-amino-6-[[3-amino-5-(2-hydroxyethyl)-2-methylphenyl]methyl]-4-(2-hydroxyethyl)phenol
CID 143613609

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-2-methylaniline?
The IUPAC name of 3,5-diethyl-2-methylaniline (CID 105432272) is 3,5-diethyl-2-methylaniline.
What is the SMILES notation for 3,5-diethyl-2-methylaniline?
The canonical SMILES for 3,5-diethyl-2-methylaniline is CCc1cc(N)c(C)c(CC)c1.
What is the InChIKey of 3,5-diethyl-2-methylaniline?
The InChIKey is GCDOMIMABUIBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-4-9-6-10(5-2)8(3)11(12)7-9/h6-7H,4-5,12H2,1-3H3.
What are the key properties of 3,5-diethyl-2-methylaniline?
3,5-diethyl-2-methylaniline has a molecular weight of 163.26 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-2-methylaniline is sourced from PubChem (CID 105432272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).