[1-[amino-(2-fluorophenyl)methyl]cyclobutyl]methanol

C12H16FNO — CID 116944249

IUPAC[1-[amino-(2-fluorophenyl)methyl]cyclobutyl]methanol
SMILESNC(c1ccccc1F)C1(CO)CCC1
InChIInChI=1S/C12H16FNO/c13-10-5-2-1-4-9(10)11(14)12(8-15)6-3-7-12/h1-2,4-5,11,15H,3,6-8,14H2
InChIKeyORNBRHXRKBKGJL-UHFFFAOYSA-N
MW209.26 g/mol
LogP1.99
Rot. Bonds3

About [1-[amino-(2-fluorophenyl)methyl]cyclobutyl]methanol

[1-[amino-(2-fluorophenyl)methyl]cyclobutyl]methanol (PubChem CID 116944249) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is [1-[amino-(2-fluorophenyl)methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[amino-(2-fluorophenyl)methyl]cyclobutyl]methanol
PubChem CID116944249
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name[1-[amino-(2-fluorophenyl)methyl]cyclobutyl]methanol
SMILESNC(c1ccccc1F)C1(CO)CCC1
InChIInChI=1S/C12H16FNO/c13-10-5-2-1-4-9(10)11(14)12(8-15)6-3-7-12/h1-2,4-5,11,15H,3,6-8,14H2
InChIKeyORNBRHXRKBKGJL-UHFFFAOYSA-N
XLogP1.99
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[amino-(2,4-difluorophenyl)methyl]cyclopropyl]methanol
CID 116943233
[3-(aminomethyl)oxetan-3-yl]-(2-fluorophenyl)methanamine
CID 116944998
[1-[amino(pyridin-2-yl)methyl]cyclobutyl]methanol
CID 116944252
methyl 1-[amino-(2-fluorophenyl)methyl]cyclobutane-1-carboxylate
CID 116944325
[1-[amino-(2-methoxy-5-propan-2-ylphenyl)methyl]cyclobutyl]methanol
CID 116944173
[1-[amino-(4-bromophenyl)methyl]cyclobutyl]methanol
CID 116944152
[1-[amino-(4-methylsulfanylphenyl)methyl]cyclobutyl]methanol
CID 116944221
(2,4-difluorophenyl)-[1-(methylaminomethyl)cyclobutyl]methanamine
CID 116943971
2-[(1R)-2-amino-1-[1-(hydroxymethyl)cyclopentyl]ethyl]phenol
CID 125454175
[1-[amino(1H-pyrrol-3-yl)methyl]cyclobutyl]methanol
CID 116944203
(1-aminocyclopentyl)-(2-fluorophenyl)methanol
CID 82283865
(2,3-difluorophenyl)-(1-phenylcyclopentyl)methanamine
CID 63988826

Frequently Asked Questions

What is the IUPAC name of [1-[amino-(2-fluorophenyl)methyl]cyclobutyl]methanol?
The IUPAC name of [1-[amino-(2-fluorophenyl)methyl]cyclobutyl]methanol (CID 116944249) is [1-[amino-(2-fluorophenyl)methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[amino-(2-fluorophenyl)methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[amino-(2-fluorophenyl)methyl]cyclobutyl]methanol is NC(c1ccccc1F)C1(CO)CCC1.
What is the InChIKey of [1-[amino-(2-fluorophenyl)methyl]cyclobutyl]methanol?
The InChIKey is ORNBRHXRKBKGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c13-10-5-2-1-4-9(10)11(14)12(8-15)6-3-7-12/h1-2,4-5,11,15H,3,6-8,14H2.
What are the key properties of [1-[amino-(2-fluorophenyl)methyl]cyclobutyl]methanol?
[1-[amino-(2-fluorophenyl)methyl]cyclobutyl]methanol has a molecular weight of 209.26 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[amino-(2-fluorophenyl)methyl]cyclobutyl]methanol is sourced from PubChem (CID 116944249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).