3-amino-1-(3-methylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol

C15H16F3NOS — CID 65190498

IUPAC3-amino-1-(3-methylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol
SMILESCc1ccsc1C(O)C(CN)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H16F3NOS/c1-9-5-6-21-14(9)13(20)12(8-19)10-3-2-4-11(7-10)15(16,17)18/h2-7,12-13,20H,8,19H2,1H3
InChIKeyPMLSVGQASCYAPF-UHFFFAOYSA-N
MW315.36 g/mol
LogP3.85
Rot. Bonds4

About 3-amino-1-(3-methylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol

3-amino-1-(3-methylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 65190498) has the molecular formula C15H16F3NOS and a molecular weight of 315.36 g/mol. Its IUPAC name is 3-amino-1-(3-methylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3-methylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID65190498
Molecular FormulaC15H16F3NOS
Molecular Weight315.36 g/mol
Exact Mass315.09
IUPAC Name3-amino-1-(3-methylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol
SMILESCc1ccsc1C(O)C(CN)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H16F3NOS/c1-9-5-6-21-14(9)13(20)12(8-19)10-3-2-4-11(7-10)15(16,17)18/h2-7,12-13,20H,8,19H2,1H3
InChIKeyPMLSVGQASCYAPF-UHFFFAOYSA-N
XLogP3.85
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]pentan-3-ol
CID 65190090
3-amino-2-(4-methylphenyl)-1-(3-methylthiophen-2-yl)propan-1-ol
CID 65187789
3-amino-1-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 65190290
3-amino-1-(3-chlorothiophen-2-yl)-2-(3-methylphenyl)propan-1-ol
CID 80642172
3-amino-1-pyridin-3-yl-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 65190750
1-amino-6-methyl-2-[3-(trifluoromethyl)phenyl]heptan-3-ol
CID 65190701
1-amino-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]hexan-3-ol
CID 65190191
1-(3-methylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 79988045
2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
CID 30514
2-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 20546638
2-(1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 79824982
3-amino-2-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 80525256

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-methylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 3-amino-1-(3-methylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol (CID 65190498) is 3-amino-1-(3-methylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-amino-1-(3-methylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 3-amino-1-(3-methylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol is Cc1ccsc1C(O)C(CN)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-amino-1-(3-methylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is PMLSVGQASCYAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NOS/c1-9-5-6-21-14(9)13(20)12(8-19)10-3-2-4-11(7-10)15(16,17)18/h2-7,12-13,20H,8,19H2,1H3.
What are the key properties of 3-amino-1-(3-methylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol?
3-amino-1-(3-methylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 315.36 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-methylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 65190498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).