(2-amino-3-methoxyphenyl)-(2,3,4-trifluorophenyl)methanol

C14H12F3NO2 — CID 107469586

IUPAC(2-amino-3-methoxyphenyl)-(2,3,4-trifluorophenyl)methanol
SMILESCOc1cccc(C(O)c2ccc(F)c(F)c2F)c1N
InChIInChI=1S/C14H12F3NO2/c1-20-10-4-2-3-8(13(10)18)14(19)7-5-6-9(15)12(17)11(7)16/h2-6,14,19H,18H2,1H3
InChIKeyUQCLOFQCTDTWRM-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.78
Rot. Bonds3

About (2-amino-3-methoxyphenyl)-(2,3,4-trifluorophenyl)methanol

(2-amino-3-methoxyphenyl)-(2,3,4-trifluorophenyl)methanol (PubChem CID 107469586) has the molecular formula C14H12F3NO2 and a molecular weight of 283.25 g/mol. Its IUPAC name is (2-amino-3-methoxyphenyl)-(2,3,4-trifluorophenyl)methanol.

Molecular Properties

Compound Name(2-amino-3-methoxyphenyl)-(2,3,4-trifluorophenyl)methanol
PubChem CID107469586
Molecular FormulaC14H12F3NO2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC Name(2-amino-3-methoxyphenyl)-(2,3,4-trifluorophenyl)methanol
SMILESCOc1cccc(C(O)c2ccc(F)c(F)c2F)c1N
InChIInChI=1S/C14H12F3NO2/c1-20-10-4-2-3-8(13(10)18)14(19)7-5-6-9(15)12(17)11(7)16/h2-6,14,19H,18H2,1H3
InChIKeyUQCLOFQCTDTWRM-UHFFFAOYSA-N
XLogP2.78
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2-amino-3-methoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 107469597
(2,3-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanol
CID 63895257
(R)-(2-amino-3-methoxyphenyl)-(2,6-difluorophenyl)methanol
CID 124565399
(2-chloro-6-methoxyphenyl)-(2,3,4-trifluorophenyl)methanol
CID 104817019
(2-aminophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82807791
(2-amino-3-methoxyphenyl)-(4-methoxy-2-methylphenyl)methanol
CID 107469490
[(2-fluoro-3-methoxyphenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105329259
(2,3-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 82106214
(2-amino-3-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 107469372
(2,3-dimethoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82791266
(2-amino-3-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol
CID 107469497
(5-bromo-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82805632

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-methoxyphenyl)-(2,3,4-trifluorophenyl)methanol?
The IUPAC name of (2-amino-3-methoxyphenyl)-(2,3,4-trifluorophenyl)methanol (CID 107469586) is (2-amino-3-methoxyphenyl)-(2,3,4-trifluorophenyl)methanol.
What is the SMILES notation for (2-amino-3-methoxyphenyl)-(2,3,4-trifluorophenyl)methanol?
The canonical SMILES for (2-amino-3-methoxyphenyl)-(2,3,4-trifluorophenyl)methanol is COc1cccc(C(O)c2ccc(F)c(F)c2F)c1N.
What is the InChIKey of (2-amino-3-methoxyphenyl)-(2,3,4-trifluorophenyl)methanol?
The InChIKey is UQCLOFQCTDTWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2/c1-20-10-4-2-3-8(13(10)18)14(19)7-5-6-9(15)12(17)11(7)16/h2-6,14,19H,18H2,1H3.
What are the key properties of (2-amino-3-methoxyphenyl)-(2,3,4-trifluorophenyl)methanol?
(2-amino-3-methoxyphenyl)-(2,3,4-trifluorophenyl)methanol has a molecular weight of 283.25 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-methoxyphenyl)-(2,3,4-trifluorophenyl)methanol is sourced from PubChem (CID 107469586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).