(S)-[1-(aminomethyl)-3-methylcyclobutyl]-(4-fluorophenyl)methanol

C13H18FNO — CID 97035266

IUPAC(S)-[1-(aminomethyl)-3-methylcyclobutyl]-(4-fluorophenyl)methanol
SMILESCC1CC(CN)([C@@H](O)c2ccc(F)cc2)C1
InChIInChI=1S/C13H18FNO/c1-9-6-13(7-9,8-15)12(16)10-2-4-11(14)5-3-10/h2-5,9,12,16H,6-8,15H2,1H3/t9?,12-,13?/m0/s1
InChIKeySNDARHVLHCJIOP-YHECAPGISA-N
MW223.29 g/mol
LogP2.23
Rot. Bonds3

About (S)-[1-(aminomethyl)-3-methylcyclobutyl]-(4-fluorophenyl)methanol

(S)-[1-(aminomethyl)-3-methylcyclobutyl]-(4-fluorophenyl)methanol (PubChem CID 97035266) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is (S)-[1-(aminomethyl)-3-methylcyclobutyl]-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name(S)-[1-(aminomethyl)-3-methylcyclobutyl]-(4-fluorophenyl)methanol
PubChem CID97035266
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name(S)-[1-(aminomethyl)-3-methylcyclobutyl]-(4-fluorophenyl)methanol
SMILESCC1CC(CN)([C@@H](O)c2ccc(F)cc2)C1
InChIInChI=1S/C13H18FNO/c1-9-6-13(7-9,8-15)12(16)10-2-4-11(14)5-3-10/h2-5,9,12,16H,6-8,15H2,1H3/t9?,12-,13?/m0/s1
InChIKeySNDARHVLHCJIOP-YHECAPGISA-N
XLogP2.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (S)-[1-(aminomethyl)-3-methylcyclobutyl]-(4-fluorophenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (S)-[1-(aminomethyl)-3-methylcyclobutyl]-(4-fluorophenyl)methanol?
The IUPAC name of (S)-[1-(aminomethyl)-3-methylcyclobutyl]-(4-fluorophenyl)methanol (CID 97035266) is (S)-[1-(aminomethyl)-3-methylcyclobutyl]-(4-fluorophenyl)methanol.
What is the SMILES notation for (S)-[1-(aminomethyl)-3-methylcyclobutyl]-(4-fluorophenyl)methanol?
The canonical SMILES for (S)-[1-(aminomethyl)-3-methylcyclobutyl]-(4-fluorophenyl)methanol is CC1CC(CN)([C@@H](O)c2ccc(F)cc2)C1.
What is the InChIKey of (S)-[1-(aminomethyl)-3-methylcyclobutyl]-(4-fluorophenyl)methanol?
The InChIKey is SNDARHVLHCJIOP-YHECAPGISA-N. The full InChI is InChI=1S/C13H18FNO/c1-9-6-13(7-9,8-15)12(16)10-2-4-11(14)5-3-10/h2-5,9,12,16H,6-8,15H2,1H3/t9?,12-,13?/m0/s1.
What are the key properties of (S)-[1-(aminomethyl)-3-methylcyclobutyl]-(4-fluorophenyl)methanol?
(S)-[1-(aminomethyl)-3-methylcyclobutyl]-(4-fluorophenyl)methanol has a molecular weight of 223.29 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[1-(aminomethyl)-3-methylcyclobutyl]-(4-fluorophenyl)methanol is sourced from PubChem (CID 97035266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).