1-(4-aminophenyl)-2-cyclobutylethanol

C12H17NO — CID 106695629

IUPAC1-(4-aminophenyl)-2-cyclobutylethanol
SMILESNc1ccc(C(O)CC2CCC2)cc1
InChIInChI=1S/C12H17NO/c13-11-6-4-10(5-7-11)12(14)8-9-2-1-3-9/h4-7,9,12,14H,1-3,8,13H2
InChIKeyDFSFOZRINHSXJL-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.49
Rot. Bonds3

About 1-(4-aminophenyl)-2-cyclobutylethanol

1-(4-aminophenyl)-2-cyclobutylethanol (PubChem CID 106695629) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-cyclobutylethanol.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-cyclobutylethanol
PubChem CID106695629
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-(4-aminophenyl)-2-cyclobutylethanol
SMILESNc1ccc(C(O)CC2CCC2)cc1
InChIInChI=1S/C12H17NO/c13-11-6-4-10(5-7-11)12(14)8-9-2-1-3-9/h4-7,9,12,14H,1-3,8,13H2
InChIKeyDFSFOZRINHSXJL-UHFFFAOYSA-N
XLogP2.49
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-aminophenyl)-2-cyclobutylethanol 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-(4-aminophenyl)-2-cyclopentylethanol
CID 106695429
2-cyclopentyl-1-(4-cyclopropyloxyphenyl)ethanol
CID 115838412
2-cyclopentyl-1-[4-(difluoromethyl)phenyl]ethanol
CID 115525070
2-cyclopentyl-1-phenylethanol
CID 15629098
1-(4-aminophenyl)-2-pyrrolidin-2-ylethanol
CID 84674533
1-(4-aminophenyl)-3-cyclopropylpropan-1-ol
CID 106695552
2-cyclohexyl-1-pyridin-4-ylethanol
CID 62606485
2-cyclopentyl-1-[4-(dimethylamino)phenyl]ethanol
CID 65151167
2-cyclopentyl-1-(4-propan-2-yloxyphenyl)ethanol
CID 61086888
2-cyclobutyl-1-(1H-pyrrol-3-yl)ethanol
CID 103165459
2-cyclopentyl-1-[4-(difluoromethoxy)phenyl]ethanol
CID 65150469
2-cyclopentyl-1-(4-ethoxyphenyl)ethanol
CID 61101248

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-cyclobutylethanol?
The IUPAC name of 1-(4-aminophenyl)-2-cyclobutylethanol (CID 106695629) is 1-(4-aminophenyl)-2-cyclobutylethanol.
What is the SMILES notation for 1-(4-aminophenyl)-2-cyclobutylethanol?
The canonical SMILES for 1-(4-aminophenyl)-2-cyclobutylethanol is Nc1ccc(C(O)CC2CCC2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-cyclobutylethanol?
The InChIKey is DFSFOZRINHSXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c13-11-6-4-10(5-7-11)12(14)8-9-2-1-3-9/h4-7,9,12,14H,1-3,8,13H2.
What are the key properties of 1-(4-aminophenyl)-2-cyclobutylethanol?
1-(4-aminophenyl)-2-cyclobutylethanol has a molecular weight of 191.27 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-cyclobutylethanol is sourced from PubChem (CID 106695629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).