(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

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Related Compounds

[1-(aminomethyl)-3-methylcyclopentyl]-(4-cyclopropylphenyl)methanol
CID 79976853
[1-(aminomethyl)-3-methylcyclopentyl]-(4-ethylphenyl)methanol
CID 79137757
[1-(aminomethyl)-3-methylcyclopentyl]-[4-(difluoromethoxy)phenyl]methanol
CID 79135427
(S)-[1-(aminomethyl)-3-methylcyclobutyl]-(2-methylphenyl)methanol
CID 97035285
[1-(aminomethyl)-3-methylcyclopentyl]-(3,4-dimethylphenyl)methanol
CID 79138726
[1-(aminomethyl)-3-methylcyclobutyl]-(5-methylthiophen-2-yl)methanol
CID 102547503
[1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylphenyl)methanol
CID 79126348
[1-(aminomethyl)-3-methylcyclopentyl]-(2,6-difluorophenyl)methanol
CID 79138973
(S)-[1-(aminomethyl)-3-methylcyclobutyl]-pyrazin-2-ylmethanol
CID 97035352
[1-(aminomethyl)cyclopentyl]-(4-methylphenyl)methanol
CID 79137754
(1S)-1-[1-(aminomethyl)-3-methylcyclobutyl]propan-1-ol
CID 97035537
(1-ethoxy-4-methylcyclohexyl)-(4-fluorophenyl)methanol
CID 116754846

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).