2-(4-aminobutan-2-yl)-6-ethylphenol

C12H19NO — CID 117284201

IUPAC2-(4-aminobutan-2-yl)-6-ethylphenol
SMILESCCc1cccc(C(C)CCN)c1O
InChIInChI=1S/C12H19NO/c1-3-10-5-4-6-11(12(10)14)9(2)7-8-13/h4-6,9,14H,3,7-8,13H2,1-2H3
InChIKeyBWUHSBHELHCGJL-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.41
Rot. Bonds4

About 2-(4-aminobutan-2-yl)-6-ethylphenol

2-(4-aminobutan-2-yl)-6-ethylphenol (PubChem CID 117284201) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(4-aminobutan-2-yl)-6-ethylphenol.

Molecular Properties

Compound Name2-(4-aminobutan-2-yl)-6-ethylphenol
PubChem CID117284201
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-(4-aminobutan-2-yl)-6-ethylphenol
SMILESCCc1cccc(C(C)CCN)c1O
InChIInChI=1S/C12H19NO/c1-3-10-5-4-6-11(12(10)14)9(2)7-8-13/h4-6,9,14H,3,7-8,13H2,1-2H3
InChIKeyBWUHSBHELHCGJL-UHFFFAOYSA-N
XLogP2.41
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(4-aminobutan-2-yl)-6-ethylphenol 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

2-[(1R)-1,3-diaminopropyl]-6-ethylphenol
CID 171257230
2-ethyl-6-(1-hydroxypropan-2-yl)phenol
CID 117278483
2-[(1R)-1,2-diaminoethyl]-6-ethylphenol
CID 66516119
2-(4-aminobutan-2-yl)-6-ethyl-3-propan-2-ylphenol
CID 117343732
2-[(1R)-1-amino-3-hydroxypropyl]-6-ethylphenol
CID 171257210
2-[(1S)-1-amino-2-hydroxyethyl]-6-ethylphenol
CID 55262993
(2S)-2-amino-2-(3-ethyl-2-hydroxyphenyl)acetonitrile
CID 130707253
2-[(1S)-1-aminobut-3-enyl]-6-ethylphenol;hydrochloride
CID 171253865
methyl (2R)-2-amino-2-(3-ethyl-2-hydroxyphenyl)acetate
CID 171253853
2-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-6-ethylphenol
CID 171253883
2-(1-aminopropan-2-yl)-6-(methoxymethyl)phenol
CID 83879383
2-(2-aminopropyl)-6-ethylphenol
CID 83875214

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutan-2-yl)-6-ethylphenol?
The IUPAC name of 2-(4-aminobutan-2-yl)-6-ethylphenol (CID 117284201) is 2-(4-aminobutan-2-yl)-6-ethylphenol.
What is the SMILES notation for 2-(4-aminobutan-2-yl)-6-ethylphenol?
The canonical SMILES for 2-(4-aminobutan-2-yl)-6-ethylphenol is CCc1cccc(C(C)CCN)c1O.
What is the InChIKey of 2-(4-aminobutan-2-yl)-6-ethylphenol?
The InChIKey is BWUHSBHELHCGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-10-5-4-6-11(12(10)14)9(2)7-8-13/h4-6,9,14H,3,7-8,13H2,1-2H3.
What are the key properties of 2-(4-aminobutan-2-yl)-6-ethylphenol?
2-(4-aminobutan-2-yl)-6-ethylphenol has a molecular weight of 193.29 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutan-2-yl)-6-ethylphenol is sourced from PubChem (CID 117284201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).