2-amino-3-(2-fluorophenyl)propan-1-ol;hydrochloride

C9H13ClFNO — CID 3048994

IUPAC2-amino-3-(2-fluorophenyl)propan-1-ol;hydrochloride
SMILESCl.NC(CO)Cc1ccccc1F
InChIInChI=1S/C9H12FNO.ClH/c10-9-4-2-1-3-7(9)5-8(11)6-12;/h1-4,8,12H,5-6,11H2;1H
InChIKeyRGBSIEAJJXZQDV-UHFFFAOYSA-N
MW205.66 g/mol
LogP1.11
Rot. Bonds3

About 2-amino-3-(2-fluorophenyl)propan-1-ol;hydrochloride

2-amino-3-(2-fluorophenyl)propan-1-ol;hydrochloride (PubChem CID 3048994) has the molecular formula C9H13ClFNO and a molecular weight of 205.66 g/mol. Its IUPAC name is 2-amino-3-(2-fluorophenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-3-(2-fluorophenyl)propan-1-ol;hydrochloride
PubChem CID3048994
Molecular FormulaC9H13ClFNO
Molecular Weight205.66 g/mol
Exact Mass205.07
IUPAC Name2-amino-3-(2-fluorophenyl)propan-1-ol;hydrochloride
SMILESCl.NC(CO)Cc1ccccc1F
InChIInChI=1S/C9H12FNO.ClH/c10-9-4-2-1-3-7(9)5-8(11)6-12;/h1-4,8,12H,5-6,11H2;1H
InChIKeyRGBSIEAJJXZQDV-UHFFFAOYSA-N
XLogP1.11
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.66
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-amino-3-(2,3,4-trifluorophenyl)propan-1-ol;hydrochloride
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(4R)-4-amino-5-(2-fluorophenyl)pentan-2-one
CID 59650649
2-amino-3-(3-chloro-2-fluorophenyl)propan-1-ol;hydrochloride
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2-amino-3-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 155890357
(2S)-2-amino-3-naphthalen-1-ylpropan-1-ol
CID 57252069
1-(1,3-dioxolan-2-yl)-3-(2-fluorophenyl)propan-2-amine
CID 103543902
2-amino-3-[2-(4-fluorophenoxy)phenyl]propan-1-ol
CID 170892625
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2-[(2R)-2-amino-3-hydroxypropyl]benzamide
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2-[(2-fluorophenyl)methyl]-3-methylbutan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-fluorophenyl)propan-1-ol;hydrochloride?
The IUPAC name of 2-amino-3-(2-fluorophenyl)propan-1-ol;hydrochloride (CID 3048994) is 2-amino-3-(2-fluorophenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-3-(2-fluorophenyl)propan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-3-(2-fluorophenyl)propan-1-ol;hydrochloride is Cl.NC(CO)Cc1ccccc1F.
What is the InChIKey of 2-amino-3-(2-fluorophenyl)propan-1-ol;hydrochloride?
The InChIKey is RGBSIEAJJXZQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO.ClH/c10-9-4-2-1-3-7(9)5-8(11)6-12;/h1-4,8,12H,5-6,11H2;1H.
What are the key properties of 2-amino-3-(2-fluorophenyl)propan-1-ol;hydrochloride?
2-amino-3-(2-fluorophenyl)propan-1-ol;hydrochloride has a molecular weight of 205.66 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-fluorophenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 3048994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).