(1R)-2-amino-1-(3-fluoro-4-phenylmethoxyphenyl)ethanol

C15H16FNO2 — CID 68939021

IUPAC(1R)-2-amino-1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
SMILESNC[C@H](O)c1ccc(OCc2ccccc2)c(F)c1
InChIInChI=1S/C15H16FNO2/c16-13-8-12(14(18)9-17)6-7-15(13)19-10-11-4-2-1-3-5-11/h1-8,14,18H,9-10,17H2/t14-/m0/s1
InChIKeyGIPHVNWPLDFVCV-AWEZNQCLSA-N
MW261.30 g/mol
LogP2.40
Rot. Bonds5

About (1R)-2-amino-1-(3-fluoro-4-phenylmethoxyphenyl)ethanol

(1R)-2-amino-1-(3-fluoro-4-phenylmethoxyphenyl)ethanol (PubChem CID 68939021) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is (1R)-2-amino-1-(3-fluoro-4-phenylmethoxyphenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-amino-1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
PubChem CID68939021
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name(1R)-2-amino-1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
SMILESNC[C@H](O)c1ccc(OCc2ccccc2)c(F)c1
InChIInChI=1S/C15H16FNO2/c16-13-8-12(14(18)9-17)6-7-15(13)19-10-11-4-2-1-3-5-11/h1-8,14,18H,9-10,17H2/t14-/m0/s1
InChIKeyGIPHVNWPLDFVCV-AWEZNQCLSA-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-(3-fluoro-4-phenylmethoxyphenyl)ethanol
CID 115582207
(1R)-2-azido-1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
CID 86605117
N-[5-(2-amino-1-hydroxyethyl)-2-phenylmethoxyphenyl]formamide
CID 126500170
(1R)-2-amino-1-[3,5-bis(phenylmethoxy)phenyl]ethanol;(1R)-2-amino-1-[3-(hydroxymethyl)-4-phenylmethoxyphenyl]ethanol
CID 158431070
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 13079645
(1R)-1-(3-fluoro-4-phenylmethoxyphenyl)-N-methylethanamine
CID 93009968
(1S)-2-amino-1-(2-fluoro-5-phenylmethoxyphenyl)ethanol
CID 129361760
3-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxypropanoic acid
CID 142645838
2-[3,4-bis(phenylmethoxy)phenyl]-2-phenylmethoxyethanamine
CID 10789198
1-[3-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 113389598
1-(3-fluoro-4-phenylmethoxyphenyl)propan-2-amine
CID 23037612
2-chloro-1-(3-chloro-4-phenylmethoxyphenyl)ethanol
CID 23191762

Frequently Asked Questions

What is the IUPAC name of (1R)-2-amino-1-(3-fluoro-4-phenylmethoxyphenyl)ethanol?
The IUPAC name of (1R)-2-amino-1-(3-fluoro-4-phenylmethoxyphenyl)ethanol (CID 68939021) is (1R)-2-amino-1-(3-fluoro-4-phenylmethoxyphenyl)ethanol.
What is the SMILES notation for (1R)-2-amino-1-(3-fluoro-4-phenylmethoxyphenyl)ethanol?
The canonical SMILES for (1R)-2-amino-1-(3-fluoro-4-phenylmethoxyphenyl)ethanol is NC[C@H](O)c1ccc(OCc2ccccc2)c(F)c1.
What is the InChIKey of (1R)-2-amino-1-(3-fluoro-4-phenylmethoxyphenyl)ethanol?
The InChIKey is GIPHVNWPLDFVCV-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H16FNO2/c16-13-8-12(14(18)9-17)6-7-15(13)19-10-11-4-2-1-3-5-11/h1-8,14,18H,9-10,17H2/t14-/m0/s1.
What are the key properties of (1R)-2-amino-1-(3-fluoro-4-phenylmethoxyphenyl)ethanol?
(1R)-2-amino-1-(3-fluoro-4-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 (1R)-2-amino-1-(3-fluoro-4-phenylmethoxyphenyl)ethanol is sourced from PubChem (CID 68939021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).