2-[4-(1-aminocyclobutyl)phenyl]ethanol

C12H17NO — CID 117112872

IUPAC2-[4-(1-aminocyclobutyl)phenyl]ethanol
SMILESNC1(c2ccc(CCO)cc2)CCC1
InChIInChI=1S/C12H17NO/c13-12(7-1-8-12)11-4-2-10(3-5-11)6-9-14/h2-5,14H,1,6-9,13H2
InChIKeyLHONAFLUPWMSCL-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.56
Rot. Bonds3

About 2-[4-(1-aminocyclobutyl)phenyl]ethanol

2-[4-(1-aminocyclobutyl)phenyl]ethanol (PubChem CID 117112872) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-[4-(1-aminocyclobutyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[4-(1-aminocyclobutyl)phenyl]ethanol
PubChem CID117112872
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-[4-(1-aminocyclobutyl)phenyl]ethanol
SMILESNC1(c2ccc(CCO)cc2)CCC1
InChIInChI=1S/C12H17NO/c13-12(7-1-8-12)11-4-2-10(3-5-11)6-9-14/h2-5,14H,1,6-9,13H2
InChIKeyLHONAFLUPWMSCL-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[4-(1-aminocyclobutyl)phenyl]ethanol 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-(2-piperidin-1-ylethyl)phenyl]cyclobutan-1-amine
CID 117400009
2-[4-[(1-aminocyclopropyl)methyl]phenyl]ethanol
CID 117116056
1-[4-(2-hydroxyethyl)phenyl]cyclobutane-1-carbonitrile
CID 84776318
2-[4-[2-(1-aminocyclopropyl)ethyl]phenyl]ethanol
CID 105457995
1-(4-propylphenyl)cyclopropan-1-amine
CID 82280519
1-[4-(1-aminocyclobutyl)phenyl]cyclopropan-1-ol
CID 117112880
1-(4-ethylphenyl)cycloheptan-1-amine
CID 62544052
2-[4-[[1-(aminomethyl)cyclobutyl]methyl]phenyl]ethanol
CID 67025850
4-[4-(1-aminocyclopropyl)phenyl]butan-2-ol
CID 117112400
1-[4-(methylsulfonylmethyl)phenyl]cyclobutan-1-amine
CID 117351561
1-[4-(aminomethyl)phenyl]cyclopropan-1-amine
CID 55270414
1-[4-(methoxymethyl)phenyl]cyclopentan-1-amine
CID 117294034

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminocyclobutyl)phenyl]ethanol?
The IUPAC name of 2-[4-(1-aminocyclobutyl)phenyl]ethanol (CID 117112872) is 2-[4-(1-aminocyclobutyl)phenyl]ethanol.
What is the SMILES notation for 2-[4-(1-aminocyclobutyl)phenyl]ethanol?
The canonical SMILES for 2-[4-(1-aminocyclobutyl)phenyl]ethanol is NC1(c2ccc(CCO)cc2)CCC1.
What is the InChIKey of 2-[4-(1-aminocyclobutyl)phenyl]ethanol?
The InChIKey is LHONAFLUPWMSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c13-12(7-1-8-12)11-4-2-10(3-5-11)6-9-14/h2-5,14H,1,6-9,13H2.
What are the key properties of 2-[4-(1-aminocyclobutyl)phenyl]ethanol?
2-[4-(1-aminocyclobutyl)phenyl]ethanol has a molecular weight of 191.27 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminocyclobutyl)phenyl]ethanol is sourced from PubChem (CID 117112872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).