3-ethyl-N-(3-methylbutan-2-yl)aniline

C13H21N — CID 43196057

IUPAC3-ethyl-N-(3-methylbutan-2-yl)aniline
SMILESCCc1cccc(NC(C)C(C)C)c1
InChIInChI=1S/C13H21N/c1-5-12-7-6-8-13(9-12)14-11(4)10(2)3/h6-11,14H,5H2,1-4H3
InChIKeyMGOZCYJJDDOFSA-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.71
Rot. Bonds4

About 3-ethyl-N-(3-methylbutan-2-yl)aniline

3-ethyl-N-(3-methylbutan-2-yl)aniline (PubChem CID 43196057) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 3-ethyl-N-(3-methylbutan-2-yl)aniline.

Molecular Properties

Compound Name3-ethyl-N-(3-methylbutan-2-yl)aniline
PubChem CID43196057
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name3-ethyl-N-(3-methylbutan-2-yl)aniline
SMILESCCc1cccc(NC(C)C(C)C)c1
InChIInChI=1S/C13H21N/c1-5-12-7-6-8-13(9-12)14-11(4)10(2)3/h6-11,14H,5H2,1-4H3
InChIKeyMGOZCYJJDDOFSA-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-ethyl-N-(3-methylbutan-2-yl)aniline 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

1-(3-ethylanilino)ethanol
CID 174601913
3-(aminomethyl)-N-(3-methylbutan-2-yl)aniline
CID 126999262
3-ethyl-N-pentan-2-ylaniline
CID 43102191
N-(1-cyclopropylethyl)-3-ethylaniline
CID 43196050
2-(3-ethylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 60688155
3-ethyl-N-propan-2-ylsulfanylaniline
CID 166883017
N-methyl-N-[[3-(3-methylbutan-2-ylamino)phenyl]methyl]acetamide
CID 43724408
(3-ethylanilino) thiohypofluorite
CID 175524944
3-ethyl-N-(3-methyl-1-phenylbutyl)aniline
CID 43102819
3-ethyl-N-(1-naphthalen-2-ylethyl)aniline
CID 43099352
3-ethyl-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43196055
2-(3-ethylanilino)-N-(methylcarbamoyl)propanamide
CID 43084470

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(3-methylbutan-2-yl)aniline?
The IUPAC name of 3-ethyl-N-(3-methylbutan-2-yl)aniline (CID 43196057) is 3-ethyl-N-(3-methylbutan-2-yl)aniline.
What is the SMILES notation for 3-ethyl-N-(3-methylbutan-2-yl)aniline?
The canonical SMILES for 3-ethyl-N-(3-methylbutan-2-yl)aniline is CCc1cccc(NC(C)C(C)C)c1.
What is the InChIKey of 3-ethyl-N-(3-methylbutan-2-yl)aniline?
The InChIKey is MGOZCYJJDDOFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-5-12-7-6-8-13(9-12)14-11(4)10(2)3/h6-11,14H,5H2,1-4H3.
What are the key properties of 3-ethyl-N-(3-methylbutan-2-yl)aniline?
3-ethyl-N-(3-methylbutan-2-yl)aniline has a molecular weight of 191.32 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(3-methylbutan-2-yl)aniline is sourced from PubChem (CID 43196057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).