[1-(aminomethyl)cyclobutyl]-(3,4-difluorophenyl)methanol

C12H15F2NO — CID 79137860

IUPAC[1-(aminomethyl)cyclobutyl]-(3,4-difluorophenyl)methanol
SMILESNCC1(C(O)c2ccc(F)c(F)c2)CCC1
InChIInChI=1S/C12H15F2NO/c13-9-3-2-8(6-10(9)14)11(16)12(7-15)4-1-5-12/h2-3,6,11,16H,1,4-5,7,15H2
InChIKeyJPCZJXKBPXJPJH-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.13
Rot. Bonds3

About [1-(aminomethyl)cyclobutyl]-(3,4-difluorophenyl)methanol

[1-(aminomethyl)cyclobutyl]-(3,4-difluorophenyl)methanol (PubChem CID 79137860) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is [1-(aminomethyl)cyclobutyl]-(3,4-difluorophenyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)cyclobutyl]-(3,4-difluorophenyl)methanol
PubChem CID79137860
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name[1-(aminomethyl)cyclobutyl]-(3,4-difluorophenyl)methanol
SMILESNCC1(C(O)c2ccc(F)c(F)c2)CCC1
InChIInChI=1S/C12H15F2NO/c13-9-3-2-8(6-10(9)14)11(16)12(7-15)4-1-5-12/h2-3,6,11,16H,1,4-5,7,15H2
InChIKeyJPCZJXKBPXJPJH-UHFFFAOYSA-N
XLogP2.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(4-fluoro-3-methylphenyl)methanol
CID 79138278
[1-(aminomethyl)cyclobutyl]-(3,5-dichlorophenyl)methanol
CID 79138573
[1-(aminomethyl)cyclobutyl]-(3-bromo-4-chlorophenyl)methanol
CID 83241184
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(4-bromo-3-fluorophenyl)methanol
CID 81440704
[4-(aminomethyl)oxan-4-yl]-(3-chloro-4-fluorophenyl)methanol
CID 81156337
[1-(aminomethyl)cyclopentyl]-(4-methylphenyl)methanol
CID 79137754
[1-(aminomethyl)cyclobutyl]-(furan-3-yl)methanol
CID 79138177
[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3,4-difluorophenyl)methanol
CID 79123645
[1-(aminomethyl)cyclohexyl]-(1,3-benzodioxol-5-yl)methanol
CID 79135921
[1-(aminomethyl)cyclobutyl]-[4-(difluoromethoxy)-3-ethoxyphenyl]methanol
CID 79126174
[1-(aminomethyl)cyclobutyl]-(3-phenoxyphenyl)methanol
CID 79123408
[1-(aminomethyl)cyclobutyl]-(3-chloro-4-fluorophenyl)methanamine
CID 116943859

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclobutyl]-(3,4-difluorophenyl)methanol?
The IUPAC name of [1-(aminomethyl)cyclobutyl]-(3,4-difluorophenyl)methanol (CID 79137860) is [1-(aminomethyl)cyclobutyl]-(3,4-difluorophenyl)methanol.
What is the SMILES notation for [1-(aminomethyl)cyclobutyl]-(3,4-difluorophenyl)methanol?
The canonical SMILES for [1-(aminomethyl)cyclobutyl]-(3,4-difluorophenyl)methanol is NCC1(C(O)c2ccc(F)c(F)c2)CCC1.
What is the InChIKey of [1-(aminomethyl)cyclobutyl]-(3,4-difluorophenyl)methanol?
The InChIKey is JPCZJXKBPXJPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c13-9-3-2-8(6-10(9)14)11(16)12(7-15)4-1-5-12/h2-3,6,11,16H,1,4-5,7,15H2.
What are the key properties of [1-(aminomethyl)cyclobutyl]-(3,4-difluorophenyl)methanol?
[1-(aminomethyl)cyclobutyl]-(3,4-difluorophenyl)methanol has a molecular weight of 227.25 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclobutyl]-(3,4-difluorophenyl)methanol is sourced from PubChem (CID 79137860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).