(1R,2R)-2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-ol

C10H14FNO2 — CID 96760175

IUPAC(1R,2R)-2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-ol
SMILESCOc1c(F)cccc1[C@@H](O)[C@@H](C)N
InChIInChI=1S/C10H14FNO2/c1-6(12)9(13)7-4-3-5-8(11)10(7)14-2/h3-6,9,13H,12H2,1-2H3/t6-,9+/m1/s1
InChIKeyTYHNAOPJNNODLX-MUWHJKNJSA-N
MW199.22 g/mol
LogP1.21
Rot. Bonds3

About (1R,2R)-2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-ol

(1R,2R)-2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-ol (PubChem CID 96760175) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is (1R,2R)-2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-ol
PubChem CID96760175
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC Name(1R,2R)-2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-ol
SMILESCOc1c(F)cccc1[C@@H](O)[C@@H](C)N
InChIInChI=1S/C10H14FNO2/c1-6(12)9(13)7-4-3-5-8(11)10(7)14-2/h3-6,9,13H,12H2,1-2H3/t6-,9+/m1/s1
InChIKeyTYHNAOPJNNODLX-MUWHJKNJSA-N
XLogP1.21
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-2-amino-1-(2,3-dimethoxyphenyl)propan-1-ol
CID 28743907
2-amino-1-(2,3-difluorophenyl)propan-1-ol
CID 63669406
3-(3-fluoro-2-methoxyphenyl)-2,3-dihydroxypropanoic acid
CID 170823857
(2R)-2-amino-2-(3-fluoro-2-methoxyphenyl)ethanol;hydrochloride
CID 121235718
(1R,2S)-1-amino-1-(3-fluoro-2-methoxyphenyl)butan-2-ol;hydrochloride
CID 171261502
(2R,3R)-3-amino-1,1,1-trifluoro-3-(3-fluoro-2-methoxyphenyl)propan-2-ol;hydrochloride
CID 171261516
2-amino-1-[3-fluoro-2-(fluoromethyl)phenyl]propan-1-ol
CID 84669941
(1R)-1-(3-fluoro-2-methoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171201759
2-amino-2-(3-fluoro-2-methoxyphenyl)acetic acid;hydrobromide
CID 117449300
2-(3-fluoro-2-methoxyphenyl)propan-1-amine;hydrobromide
CID 117414447
(1S)-3-fluoro-1-(3-fluoro-2-methoxyphenyl)propan-1-amine
CID 171221280
(1S,2R)-2-amino-1-(2-methoxyphenyl)propan-1-ol
CID 15671931

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-ol?
The IUPAC name of (1R,2R)-2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-ol (CID 96760175) is (1R,2R)-2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-ol.
What is the SMILES notation for (1R,2R)-2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-ol?
The canonical SMILES for (1R,2R)-2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-ol is COc1c(F)cccc1[C@@H](O)[C@@H](C)N.
What is the InChIKey of (1R,2R)-2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-ol?
The InChIKey is TYHNAOPJNNODLX-MUWHJKNJSA-N. The full InChI is InChI=1S/C10H14FNO2/c1-6(12)9(13)7-4-3-5-8(11)10(7)14-2/h3-6,9,13H,12H2,1-2H3/t6-,9+/m1/s1.
What are the key properties of (1R,2R)-2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-ol?
(1R,2R)-2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-ol has a molecular weight of 199.22 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 96760175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).