1-(3-bromophenyl)-2-[3-(trifluoromethyl)anilino]ethanol

C15H13BrF3NO — CID 60897660

IUPAC1-(3-bromophenyl)-2-[3-(trifluoromethyl)anilino]ethanol
SMILESOC(CNc1cccc(C(F)(F)F)c1)c1cccc(Br)c1
InChIInChI=1S/C15H13BrF3NO/c16-12-5-1-3-10(7-12)14(21)9-20-13-6-2-4-11(8-13)15(17,18)19/h1-8,14,20-21H,9H2
InChIKeyVXHJIAIDDLABNY-UHFFFAOYSA-N
MW360.17 g/mol
LogP4.61
Rot. Bonds4

About 1-(3-bromophenyl)-2-[3-(trifluoromethyl)anilino]ethanol

1-(3-bromophenyl)-2-[3-(trifluoromethyl)anilino]ethanol (PubChem CID 60897660) has the molecular formula C15H13BrF3NO and a molecular weight of 360.17 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-[3-(trifluoromethyl)anilino]ethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-[3-(trifluoromethyl)anilino]ethanol
PubChem CID60897660
Molecular FormulaC15H13BrF3NO
Molecular Weight360.17 g/mol
Exact Mass359.01
IUPAC Name1-(3-bromophenyl)-2-[3-(trifluoromethyl)anilino]ethanol
SMILESOC(CNc1cccc(C(F)(F)F)c1)c1cccc(Br)c1
InChIInChI=1S/C15H13BrF3NO/c16-12-5-1-3-10(7-12)14(21)9-20-13-6-2-4-11(8-13)15(17,18)19/h1-8,14,20-21H,9H2
InChIKeyVXHJIAIDDLABNY-UHFFFAOYSA-N
XLogP4.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.17
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromoanilino)-1-phenylethanol
CID 60719910
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CID 60724934
2-(2-bromo-5-fluoroanilino)-1-(3-bromophenyl)ethanol
CID 107635976
2-[(1-methylpyrazol-4-yl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 79770392
1-(3-bromophenyl)-2-(4-propylanilino)ethanol
CID 60909148
2-[(4-bromothiophen-2-yl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60969473
2-(propan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60903667
(1R)-1-(3-bromophenyl)-2-(methylamino)ethanol
CID 39247726
3-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol
CID 113362913
2-(5-bromo-2,4-difluoroanilino)-1-(3-bromophenyl)ethanol
CID 102853410
1-(3-bromophenyl)-2-(5-chloro-2-fluoroanilino)ethanol
CID 60909028

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-[3-(trifluoromethyl)anilino]ethanol?
The IUPAC name of 1-(3-bromophenyl)-2-[3-(trifluoromethyl)anilino]ethanol (CID 60897660) is 1-(3-bromophenyl)-2-[3-(trifluoromethyl)anilino]ethanol.
What is the SMILES notation for 1-(3-bromophenyl)-2-[3-(trifluoromethyl)anilino]ethanol?
The canonical SMILES for 1-(3-bromophenyl)-2-[3-(trifluoromethyl)anilino]ethanol is OC(CNc1cccc(C(F)(F)F)c1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-[3-(trifluoromethyl)anilino]ethanol?
The InChIKey is VXHJIAIDDLABNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF3NO/c16-12-5-1-3-10(7-12)14(21)9-20-13-6-2-4-11(8-13)15(17,18)19/h1-8,14,20-21H,9H2.
What are the key properties of 1-(3-bromophenyl)-2-[3-(trifluoromethyl)anilino]ethanol?
1-(3-bromophenyl)-2-[3-(trifluoromethyl)anilino]ethanol has a molecular weight of 360.17 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-[3-(trifluoromethyl)anilino]ethanol is sourced from PubChem (CID 60897660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).