(R)-(2-amino-3-methoxyphenyl)-(2,6-difluorophenyl)methanol

C14H13F2NO2 — CID 124565399

IUPAC(R)-(2-amino-3-methoxyphenyl)-(2,6-difluorophenyl)methanol
SMILESCOc1cccc([C@@H](O)c2c(F)cccc2F)c1N
InChIInChI=1S/C14H13F2NO2/c1-19-11-7-2-4-8(13(11)17)14(18)12-9(15)5-3-6-10(12)16/h2-7,14,18H,17H2,1H3/t14-/m1/s1
InChIKeyVAURSMOWDGONRR-CQSZACIVSA-N
MW265.26 g/mol
LogP2.64
Rot. Bonds3

About (R)-(2-amino-3-methoxyphenyl)-(2,6-difluorophenyl)methanol

(R)-(2-amino-3-methoxyphenyl)-(2,6-difluorophenyl)methanol (PubChem CID 124565399) has the molecular formula C14H13F2NO2 and a molecular weight of 265.26 g/mol. Its IUPAC name is (R)-(2-amino-3-methoxyphenyl)-(2,6-difluorophenyl)methanol.

Molecular Properties

Compound Name(R)-(2-amino-3-methoxyphenyl)-(2,6-difluorophenyl)methanol
PubChem CID124565399
Molecular FormulaC14H13F2NO2
Molecular Weight265.26 g/mol
Exact Mass265.09
IUPAC Name(R)-(2-amino-3-methoxyphenyl)-(2,6-difluorophenyl)methanol
SMILESCOc1cccc([C@@H](O)c2c(F)cccc2F)c1N
InChIInChI=1S/C14H13F2NO2/c1-19-11-7-2-4-8(13(11)17)14(18)12-9(15)5-3-6-10(12)16/h2-7,14,18H,17H2,1H3/t14-/m1/s1
InChIKeyVAURSMOWDGONRR-CQSZACIVSA-N
XLogP2.64
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-amino-3-methoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 107469597
(2-amino-3-methoxyphenyl)-(2,3,4-trifluorophenyl)methanol
CID 107469586
(2-chloro-3-fluorophenyl)-(2,6-dimethoxyphenyl)methanol
CID 115838575
(2,6-difluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 61081893
(2,5-dimethoxyphenyl)-(2-fluoro-6-methoxyphenyl)methanol
CID 65433281
(2-amino-3-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 107469372
(2-amino-3-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol
CID 107469497
1-(2-amino-3-methoxyphenyl)propane-1,3-diol
CID 105450647
(2-amino-3-methoxyphenyl)-(3,4-dimethylphenyl)methanol
CID 107469517
(5-bromo-4-fluoro-2-methoxyphenyl)-(2,6-difluorophenyl)methanol
CID 103396120
(2,6-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol
CID 115838581
(2-amino-3-methoxyphenyl)-(4-methoxy-2-methylphenyl)methanol
CID 107469490

Frequently Asked Questions

What is the IUPAC name of (R)-(2-amino-3-methoxyphenyl)-(2,6-difluorophenyl)methanol?
The IUPAC name of (R)-(2-amino-3-methoxyphenyl)-(2,6-difluorophenyl)methanol (CID 124565399) is (R)-(2-amino-3-methoxyphenyl)-(2,6-difluorophenyl)methanol.
What is the SMILES notation for (R)-(2-amino-3-methoxyphenyl)-(2,6-difluorophenyl)methanol?
The canonical SMILES for (R)-(2-amino-3-methoxyphenyl)-(2,6-difluorophenyl)methanol is COc1cccc([C@@H](O)c2c(F)cccc2F)c1N.
What is the InChIKey of (R)-(2-amino-3-methoxyphenyl)-(2,6-difluorophenyl)methanol?
The InChIKey is VAURSMOWDGONRR-CQSZACIVSA-N. The full InChI is InChI=1S/C14H13F2NO2/c1-19-11-7-2-4-8(13(11)17)14(18)12-9(15)5-3-6-10(12)16/h2-7,14,18H,17H2,1H3/t14-/m1/s1.
What are the key properties of (R)-(2-amino-3-methoxyphenyl)-(2,6-difluorophenyl)methanol?
(R)-(2-amino-3-methoxyphenyl)-(2,6-difluorophenyl)methanol has a molecular weight of 265.26 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(2-amino-3-methoxyphenyl)-(2,6-difluorophenyl)methanol is sourced from PubChem (CID 124565399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).