(1S)-2-amino-1-(2-fluoro-5-phenylmethoxyphenyl)ethanol

C15H16FNO2 — CID 129361760

IUPAC(1S)-2-amino-1-(2-fluoro-5-phenylmethoxyphenyl)ethanol
SMILESNC[C@@H](O)c1cc(OCc2ccccc2)ccc1F
InChIInChI=1S/C15H16FNO2/c16-14-7-6-12(8-13(14)15(18)9-17)19-10-11-4-2-1-3-5-11/h1-8,15,18H,9-10,17H2/t15-/m1/s1
InChIKeyFGGDZWZPCNKFGE-OAHLLOKOSA-N
MW261.30 g/mol
LogP2.40
Rot. Bonds5

About (1S)-2-amino-1-(2-fluoro-5-phenylmethoxyphenyl)ethanol

(1S)-2-amino-1-(2-fluoro-5-phenylmethoxyphenyl)ethanol (PubChem CID 129361760) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is (1S)-2-amino-1-(2-fluoro-5-phenylmethoxyphenyl)ethanol.

Molecular Properties

Compound Name(1S)-2-amino-1-(2-fluoro-5-phenylmethoxyphenyl)ethanol
PubChem CID129361760
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name(1S)-2-amino-1-(2-fluoro-5-phenylmethoxyphenyl)ethanol
SMILESNC[C@@H](O)c1cc(OCc2ccccc2)ccc1F
InChIInChI=1S/C15H16FNO2/c16-14-7-6-12(8-13(14)15(18)9-17)19-10-11-4-2-1-3-5-11/h1-8,15,18H,9-10,17H2/t15-/m1/s1
InChIKeyFGGDZWZPCNKFGE-OAHLLOKOSA-N
XLogP2.40
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-5-phenylmethoxyphenyl)-2-phenylethanol
CID 83988743
(1R)-2-amino-1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
CID 68939021
(1S)-1-(2-fluoro-4-phenylmethoxyphenyl)ethanamine
CID 107718661
2-[(1R)-1-amino-3-fluoropropyl]-5-phenylmethoxyphenol;hydrochloride
CID 171214474
1-fluoro-2-iodo-4-phenylmethoxybenzene
CID 18330888
2,3-dihydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)propanoic acid
CID 170825141
(1S)-1-(2-bromo-5-phenylmethoxyphenyl)ethanol
CID 171991585
1-(2-chloro-5-phenylmethoxyphenyl)ethanol
CID 83988712
2-[(1R)-1-amino-2-hydroxyethyl]-5-phenylmethoxyphenol;hydrochloride
CID 171234127
1-benzylsulfanyl-2-fluoro-4-phenylmethoxybenzene
CID 167488738
2-[(1R)-1-aminopropyl]-5-phenylmethoxyphenol;hydrochloride
CID 171214454
1-(2,5-difluorophenyl)-2-phenylethanol
CID 61101479

Frequently Asked Questions

What is the IUPAC name of (1S)-2-amino-1-(2-fluoro-5-phenylmethoxyphenyl)ethanol?
The IUPAC name of (1S)-2-amino-1-(2-fluoro-5-phenylmethoxyphenyl)ethanol (CID 129361760) is (1S)-2-amino-1-(2-fluoro-5-phenylmethoxyphenyl)ethanol.
What is the SMILES notation for (1S)-2-amino-1-(2-fluoro-5-phenylmethoxyphenyl)ethanol?
The canonical SMILES for (1S)-2-amino-1-(2-fluoro-5-phenylmethoxyphenyl)ethanol is NC[C@@H](O)c1cc(OCc2ccccc2)ccc1F.
What is the InChIKey of (1S)-2-amino-1-(2-fluoro-5-phenylmethoxyphenyl)ethanol?
The InChIKey is FGGDZWZPCNKFGE-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H16FNO2/c16-14-7-6-12(8-13(14)15(18)9-17)19-10-11-4-2-1-3-5-11/h1-8,15,18H,9-10,17H2/t15-/m1/s1.
What are the key properties of (1S)-2-amino-1-(2-fluoro-5-phenylmethoxyphenyl)ethanol?
(1S)-2-amino-1-(2-fluoro-5-phenylmethoxyphenyl)ethanol has a molecular weight of 261.30 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-amino-1-(2-fluoro-5-phenylmethoxyphenyl)ethanol is sourced from PubChem (CID 129361760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).