3-ethyl-N-(2-methylcyclobutyl)aniline

C13H19N — CID 126973402

IUPAC3-ethyl-N-(2-methylcyclobutyl)aniline
SMILESCCc1cccc(NC2CCC2C)c1
InChIInChI=1S/C13H19N/c1-3-11-5-4-6-12(9-11)14-13-8-7-10(13)2/h4-6,9-10,13-14H,3,7-8H2,1-2H3
InChIKeyQFGUACWQTVKLIU-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.46
Rot. Bonds3

About 3-ethyl-N-(2-methylcyclobutyl)aniline

3-ethyl-N-(2-methylcyclobutyl)aniline (PubChem CID 126973402) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 3-ethyl-N-(2-methylcyclobutyl)aniline.

Molecular Properties

Compound Name3-ethyl-N-(2-methylcyclobutyl)aniline
PubChem CID126973402
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name3-ethyl-N-(2-methylcyclobutyl)aniline
SMILESCCc1cccc(NC2CCC2C)c1
InChIInChI=1S/C13H19N/c1-3-11-5-4-6-12(9-11)14-13-8-7-10(13)2/h4-6,9-10,13-14H,3,7-8H2,1-2H3
InChIKeyQFGUACWQTVKLIU-UHFFFAOYSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-cyclohexyl-3-ethylaniline
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3-(methoxymethyl)-N-(2-methylcyclopentyl)aniline
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N-(2,5-dimethylcyclohexyl)-3-(methoxymethyl)aniline
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N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]-3-(methylsulfonylmethyl)aniline
CID 129374172
3-ethyl-N-[(2-methylcyclopropyl)methyl]aniline
CID 131186122
N-(2,4-dimethylcyclohexyl)-3-(pyrazol-1-ylmethyl)aniline
CID 64761861
N-(2,4-dimethylcyclohexyl)-3-(2-methoxyethoxymethyl)aniline
CID 64761884
N-(1-cyclopropylethyl)-3-ethylaniline
CID 43196050
N-(3-ethylphenyl)-6-oxaspiro[4.5]decan-9-amine
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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(2-methylcyclobutyl)aniline?
The IUPAC name of 3-ethyl-N-(2-methylcyclobutyl)aniline (CID 126973402) is 3-ethyl-N-(2-methylcyclobutyl)aniline.
What is the SMILES notation for 3-ethyl-N-(2-methylcyclobutyl)aniline?
The canonical SMILES for 3-ethyl-N-(2-methylcyclobutyl)aniline is CCc1cccc(NC2CCC2C)c1.
What is the InChIKey of 3-ethyl-N-(2-methylcyclobutyl)aniline?
The InChIKey is QFGUACWQTVKLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-3-11-5-4-6-12(9-11)14-13-8-7-10(13)2/h4-6,9-10,13-14H,3,7-8H2,1-2H3.
What are the key properties of 3-ethyl-N-(2-methylcyclobutyl)aniline?
3-ethyl-N-(2-methylcyclobutyl)aniline has a molecular weight of 189.30 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2-methylcyclobutyl)aniline is sourced from PubChem (CID 126973402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).