1,1,1-trifluoro-3-(3-methoxyphenyl)-3-[(2-methylquinolin-5-yl)amino]propan-2-ol

C20H19F3N2O2 — CID 91212730

IUPAC1,1,1-trifluoro-3-(3-methoxyphenyl)-3-[(2-methylquinolin-5-yl)amino]propan-2-ol
SMILESCOc1cccc(C(Nc2cccc3nc(C)ccc23)C(O)C(F)(F)F)c1
InChIInChI=1S/C20H19F3N2O2/c1-12-9-10-15-16(24-12)7-4-8-17(15)25-18(19(26)20(21,22)23)13-5-3-6-14(11-13)27-2/h3-11,18-19,25-26H,1-2H3
InChIKeyOGJBFDSFSMSKSP-UHFFFAOYSA-N
MW376.38 g/mol
LogP4.63
Rot. Bonds5

About 1,1,1-trifluoro-3-(3-methoxyphenyl)-3-[(2-methylquinolin-5-yl)amino]propan-2-ol

1,1,1-trifluoro-3-(3-methoxyphenyl)-3-[(2-methylquinolin-5-yl)amino]propan-2-ol (PubChem CID 91212730) has the molecular formula C20H19F3N2O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(3-methoxyphenyl)-3-[(2-methylquinolin-5-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(3-methoxyphenyl)-3-[(2-methylquinolin-5-yl)amino]propan-2-ol
PubChem CID91212730
Molecular FormulaC20H19F3N2O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC Name1,1,1-trifluoro-3-(3-methoxyphenyl)-3-[(2-methylquinolin-5-yl)amino]propan-2-ol
SMILESCOc1cccc(C(Nc2cccc3nc(C)ccc23)C(O)C(F)(F)F)c1
InChIInChI=1S/C20H19F3N2O2/c1-12-9-10-15-16(24-12)7-4-8-17(15)25-18(19(26)20(21,22)23)13-5-3-6-14(11-13)27-2/h3-11,18-19,25-26H,1-2H3
InChIKeyOGJBFDSFSMSKSP-UHFFFAOYSA-N
XLogP4.63
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,1,1-trifluoro-3-(2-methoxyphenyl)-3-[(2-methylquinolin-5-yl)amino]propan-2-ol
CID 141214491
3-[4-(chloromethyl)-3,5-difluoro-2-methoxyphenyl]-1,1,1-trifluoro-3-[(2-methylquinolin-5-yl)amino]propan-2-ol
CID 24802764
2-[(4-chloro-3-fluoro-2-methoxyphenyl)-[(2-methylquinolin-5-yl)amino]methyl]-3,3,3-trifluoropropane-1,2-diol
CID 58543952
1,1,1-trifluoro-3-(5-fluoro-2-methoxy-3-methylphenyl)-2-(methoxymethyl)-3-[(2-methylquinolin-5-yl)amino]propan-2-ol
CID 154558927
4-amino-1,1,1-trifluoro-3-(3-methoxyphenyl)butan-2-ol
CID 65189932
1,1,1-trifluoro-3-(4-fluoro-3-methoxyphenyl)-3-[(2-methylquinolin-5-yl)amino]-2-(propan-2-ylsulfanylmethyl)propan-2-ol
CID 58543981
2,4-dimethoxy-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide
CID 17099334
2-methyl-N-(2-methylquinolin-5-yl)-2-phenoxypropanamide
CID 30308944
N-[bis(3-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine
CID 133356956
3-(5-chloro-3-fluoro-2-methoxyphenyl)-1,1,1-trifluoro-3-[(2-methylquinolin-5-yl)amino]-2-(methylsulfanylmethyl)propan-2-ol
CID 58543859
4-(3-methoxyanilino)-2-methylquinolin-7-ol;hydrochloride
CID 135802999
7-methoxy-4,4-dimethyl-1-[[(2-methylquinolin-5-yl)amino]methyl]-2-(trifluoromethyl)-3H-naphthalene-1,2-diol
CID 11955997

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(3-methoxyphenyl)-3-[(2-methylquinolin-5-yl)amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(3-methoxyphenyl)-3-[(2-methylquinolin-5-yl)amino]propan-2-ol (CID 91212730) is 1,1,1-trifluoro-3-(3-methoxyphenyl)-3-[(2-methylquinolin-5-yl)amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(3-methoxyphenyl)-3-[(2-methylquinolin-5-yl)amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(3-methoxyphenyl)-3-[(2-methylquinolin-5-yl)amino]propan-2-ol is COc1cccc(C(Nc2cccc3nc(C)ccc23)C(O)C(F)(F)F)c1.
What is the InChIKey of 1,1,1-trifluoro-3-(3-methoxyphenyl)-3-[(2-methylquinolin-5-yl)amino]propan-2-ol?
The InChIKey is OGJBFDSFSMSKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2/c1-12-9-10-15-16(24-12)7-4-8-17(15)25-18(19(26)20(21,22)23)13-5-3-6-14(11-13)27-2/h3-11,18-19,25-26H,1-2H3.
What are the key properties of 1,1,1-trifluoro-3-(3-methoxyphenyl)-3-[(2-methylquinolin-5-yl)amino]propan-2-ol?
1,1,1-trifluoro-3-(3-methoxyphenyl)-3-[(2-methylquinolin-5-yl)amino]propan-2-ol has a molecular weight of 376.38 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(3-methoxyphenyl)-3-[(2-methylquinolin-5-yl)amino]propan-2-ol is sourced from PubChem (CID 91212730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).