(1S)-2-[(2-methoxyphenyl)methylamino]-1-[4-(trifluoromethyl)phenyl]ethanol

C17H18F3NO2 — CID 46893460

IUPAC(1S)-2-[(2-methoxyphenyl)methylamino]-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESCOc1ccccc1CNC[C@@H](O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H18F3NO2/c1-23-16-5-3-2-4-13(16)10-21-11-15(22)12-6-8-14(9-7-12)17(18,19)20/h2-9,15,21-22H,10-11H2,1H3/t15-/m1/s1
InChIKeyJNNGTMPRWBIGGP-OAHLLOKOSA-N
MW325.33 g/mol
LogP3.54
Rot. Bonds6

About (1S)-2-[(2-methoxyphenyl)methylamino]-1-[4-(trifluoromethyl)phenyl]ethanol

(1S)-2-[(2-methoxyphenyl)methylamino]-1-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 46893460) has the molecular formula C17H18F3NO2 and a molecular weight of 325.33 g/mol. Its IUPAC name is (1S)-2-[(2-methoxyphenyl)methylamino]-1-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-2-[(2-methoxyphenyl)methylamino]-1-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID46893460
Molecular FormulaC17H18F3NO2
Molecular Weight325.33 g/mol
Exact Mass325.13
IUPAC Name(1S)-2-[(2-methoxyphenyl)methylamino]-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESCOc1ccccc1CNC[C@@H](O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H18F3NO2/c1-23-16-5-3-2-4-13(16)10-21-11-15(22)12-6-8-14(9-7-12)17(18,19)20/h2-9,15,21-22H,10-11H2,1H3/t15-/m1/s1
InChIKeyJNNGTMPRWBIGGP-OAHLLOKOSA-N
XLogP3.54
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1,1,1-trifluoro-3-[(2-methoxyphenyl)methylamino]propan-2-ol
CID 1482360
(2R)-1,1,1-trifluoro-3-[(2-methoxyphenyl)methylamino]propan-2-ol
CID 1482361
1-(3-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol
CID 60896885
1-(4-fluoro-3-methylphenyl)-2-[(2-methoxyphenyl)methylamino]ethanol
CID 82315000
1-(3-bromophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol
CID 23647926
2-[(2-methoxyphenyl)methylamino]-1-(2-methylphenyl)ethanol
CID 111118595
2-[(2-ethoxyphenyl)methylamino]-1-(4-fluorophenyl)ethanol
CID 75875456
2-[(2,4-dimethoxyphenyl)methylamino]-1-(4-fluorophenyl)ethanol
CID 73211515
N-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51272108
1-(4-tert-butylphenyl)-2-(2-methoxyphenyl)ethanol
CID 61089438
1-(3,4-dimethoxyphenyl)-2-[(2-methylphenyl)methylamino]ethanol
CID 10851837
2-(pyridin-4-ylmethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60899811

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[(2-methoxyphenyl)methylamino]-1-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of (1S)-2-[(2-methoxyphenyl)methylamino]-1-[4-(trifluoromethyl)phenyl]ethanol (CID 46893460) is (1S)-2-[(2-methoxyphenyl)methylamino]-1-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for (1S)-2-[(2-methoxyphenyl)methylamino]-1-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for (1S)-2-[(2-methoxyphenyl)methylamino]-1-[4-(trifluoromethyl)phenyl]ethanol is COc1ccccc1CNC[C@@H](O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (1S)-2-[(2-methoxyphenyl)methylamino]-1-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is JNNGTMPRWBIGGP-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H18F3NO2/c1-23-16-5-3-2-4-13(16)10-21-11-15(22)12-6-8-14(9-7-12)17(18,19)20/h2-9,15,21-22H,10-11H2,1H3/t15-/m1/s1.
What are the key properties of (1S)-2-[(2-methoxyphenyl)methylamino]-1-[4-(trifluoromethyl)phenyl]ethanol?
(1S)-2-[(2-methoxyphenyl)methylamino]-1-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 325.33 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[(2-methoxyphenyl)methylamino]-1-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 46893460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).