(2-amino-3-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol

C15H14F3NO2 — CID 107469372

IUPAC(2-amino-3-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol
SMILESCOc1cccc(C(O)c2ccc(C(F)(F)F)cc2)c1N
InChIInChI=1S/C15H14F3NO2/c1-21-12-4-2-3-11(13(12)19)14(20)9-5-7-10(8-6-9)15(16,17)18/h2-8,14,20H,19H2,1H3
InChIKeyMNSSBEBMFWDQPK-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.38
Rot. Bonds3

About (2-amino-3-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol

(2-amino-3-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol (PubChem CID 107469372) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is (2-amino-3-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(2-amino-3-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol
PubChem CID107469372
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name(2-amino-3-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol
SMILESCOc1cccc(C(O)c2ccc(C(F)(F)F)cc2)c1N
InChIInChI=1S/C15H14F3NO2/c1-21-12-4-2-3-11(13(12)19)14(20)9-5-7-10(8-6-9)15(16,17)18/h2-8,14,20H,19H2,1H3
InChIKeyMNSSBEBMFWDQPK-UHFFFAOYSA-N
XLogP3.38
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.38
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)-(3,4-dimethylphenyl)methanol
CID 107469517
(2-amino-3-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol
CID 107469497
(2-amino-3-methoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 107469597
(R)-(2-amino-3-methoxyphenyl)-(2,6-difluorophenyl)methanol
CID 124565399
(5-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 63896012
(2,3-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 63895822
1-(2-amino-3-methoxyphenyl)-4,4,4-trifluorobutan-1-ol
CID 107469294
(4-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 115793883
(2-amino-3-methoxyphenyl)-(2,3,4-trifluorophenyl)methanol
CID 107469586
(2,3-difluorophenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 63895919
(2-amino-3-methoxyphenyl)-quinolin-7-ylmethanol
CID 107469424
(2-amino-3-methoxyphenyl)-(3-cyclopropyloxyphenyl)methanol
CID 107469550

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (2-amino-3-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol (CID 107469372) is (2-amino-3-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (2-amino-3-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (2-amino-3-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol is COc1cccc(C(O)c2ccc(C(F)(F)F)cc2)c1N.
What is the InChIKey of (2-amino-3-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol?
The InChIKey is MNSSBEBMFWDQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2/c1-21-12-4-2-3-11(13(12)19)14(20)9-5-7-10(8-6-9)15(16,17)18/h2-8,14,20H,19H2,1H3.
What are the key properties of (2-amino-3-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol?
(2-amino-3-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol has a molecular weight of 297.28 g/mol, XLogP of 3.38, 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)-[4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 107469372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).