3-amino-1-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol

C14H13BrF3NOS — CID 65190290

IUPAC3-amino-1-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol
SMILESNCC(c1cccc(C(F)(F)F)c1)C(O)c1ccc(Br)s1
InChIInChI=1S/C14H13BrF3NOS/c15-12-5-4-11(21-12)13(20)10(7-19)8-2-1-3-9(6-8)14(16,17)18/h1-6,10,13,20H,7,19H2
InChIKeyJQJHCHWBARGXJE-UHFFFAOYSA-N
MW380.23 g/mol
LogP4.31
Rot. Bonds4

About 3-amino-1-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol

3-amino-1-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 65190290) has the molecular formula C14H13BrF3NOS and a molecular weight of 380.23 g/mol. Its IUPAC name is 3-amino-1-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID65190290
Molecular FormulaC14H13BrF3NOS
Molecular Weight380.23 g/mol
Exact Mass378.99
IUPAC Name3-amino-1-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol
SMILESNCC(c1cccc(C(F)(F)F)c1)C(O)c1ccc(Br)s1
InChIInChI=1S/C14H13BrF3NOS/c15-12-5-4-11(21-12)13(20)10(7-19)8-2-1-3-9(6-8)14(16,17)18/h1-6,10,13,20H,7,19H2
InChIKeyJQJHCHWBARGXJE-UHFFFAOYSA-N
XLogP4.31
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(3-methylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 65190498
3-amino-1-pyridin-3-yl-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 65190750
1-amino-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]pentan-3-ol
CID 65190090
3-amino-2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)propan-1-ol
CID 65187605
2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
CID 30514
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
3-amino-2-(3-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol
CID 65187866
2-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 20546638
3-amino-2-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 80525256
(2R)-2-fluoro-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 97052338
3-bromo-1-[3-(trifluoromethyl)phenyl]propane-1,2-diol
CID 171860229

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 3-amino-1-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol (CID 65190290) is 3-amino-1-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-amino-1-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 3-amino-1-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol is NCC(c1cccc(C(F)(F)F)c1)C(O)c1ccc(Br)s1.
What is the InChIKey of 3-amino-1-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is JQJHCHWBARGXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF3NOS/c15-12-5-4-11(21-12)13(20)10(7-19)8-2-1-3-9(6-8)14(16,17)18/h1-6,10,13,20H,7,19H2.
What are the key properties of 3-amino-1-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol?
3-amino-1-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 380.23 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 65190290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).