[3-(1-aminoethyl)-4-fluorophenyl]methanol

C9H12FNO — CID 55283216

IUPAC[3-(1-aminoethyl)-4-fluorophenyl]methanol
SMILESCC(N)c1cc(CO)ccc1F
InChIInChI=1S/C9H12FNO/c1-6(11)8-4-7(5-12)2-3-9(8)10/h2-4,6,12H,5,11H2,1H3
InChIKeyYQXLSBXYTDBDPZ-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.34
Rot. Bonds2

About [3-(1-aminoethyl)-4-fluorophenyl]methanol

[3-(1-aminoethyl)-4-fluorophenyl]methanol (PubChem CID 55283216) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is [3-(1-aminoethyl)-4-fluorophenyl]methanol.

Molecular Properties

Compound Name[3-(1-aminoethyl)-4-fluorophenyl]methanol
PubChem CID55283216
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name[3-(1-aminoethyl)-4-fluorophenyl]methanol
SMILESCC(N)c1cc(CO)ccc1F
InChIInChI=1S/C9H12FNO/c1-6(11)8-4-7(5-12)2-3-9(8)10/h2-4,6,12H,5,11H2,1H3
InChIKeyYQXLSBXYTDBDPZ-UHFFFAOYSA-N
XLogP1.34
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072341
(1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride
CID 53484729
(1S)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072344
(1S)-1-(2-fluoro-5-iodophenyl)ethanamine
CID 131032773
(3,4-difluorophenyl)methanol
CID 522833
1-(5-tert-butyl-2-fluorophenyl)ethanamine
CID 83988556
1-[2-fluoro-5-(hydroxymethyl)phenyl]-4-(methylamino)butane-1,2-diol
CID 171890126
(1S)-1-(2-fluoro-5-methoxyphenyl)ethanamine
CID 55253284
[4-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]phenyl]methanol
CID 55182628
1-(2,4-difluoro-5-propan-2-ylphenyl)ethanamine
CID 117288733
1-[2-fluoro-4-[(4-methylphenyl)methyl]phenyl]ethanamine
CID 165144963
1-[5-(1,1-difluoroethyl)-2-fluorophenyl]ethanamine
CID 84671373

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminoethyl)-4-fluorophenyl]methanol?
The IUPAC name of [3-(1-aminoethyl)-4-fluorophenyl]methanol (CID 55283216) is [3-(1-aminoethyl)-4-fluorophenyl]methanol.
What is the SMILES notation for [3-(1-aminoethyl)-4-fluorophenyl]methanol?
The canonical SMILES for [3-(1-aminoethyl)-4-fluorophenyl]methanol is CC(N)c1cc(CO)ccc1F.
What is the InChIKey of [3-(1-aminoethyl)-4-fluorophenyl]methanol?
The InChIKey is YQXLSBXYTDBDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c1-6(11)8-4-7(5-12)2-3-9(8)10/h2-4,6,12H,5,11H2,1H3.
What are the key properties of [3-(1-aminoethyl)-4-fluorophenyl]methanol?
[3-(1-aminoethyl)-4-fluorophenyl]methanol has a molecular weight of 169.20 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminoethyl)-4-fluorophenyl]methanol is sourced from PubChem (CID 55283216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).