1-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine

C15H13BrF3N — CID 62114714

IUPAC1-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESNC(Cc1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrF3N/c16-13-7-3-11(4-8-13)14(20)9-10-1-5-12(6-2-10)15(17,18)19/h1-8,14H,9,20H2
InChIKeyBNHVOCAICDQTNY-UHFFFAOYSA-N
MW344.17 g/mol
LogP4.71
Rot. Bonds3

About 1-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine

1-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 62114714) has the molecular formula C15H13BrF3N and a molecular weight of 344.17 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID62114714
Molecular FormulaC15H13BrF3N
Molecular Weight344.17 g/mol
Exact Mass343.02
IUPAC Name1-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESNC(Cc1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrF3N/c16-13-7-3-11(4-8-13)14(20)9-10-1-5-12(6-2-10)15(17,18)19/h1-8,14H,9,20H2
InChIKeyBNHVOCAICDQTNY-UHFFFAOYSA-N
XLogP4.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.17
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromophenyl)-1-(4-tert-butylphenyl)ethanamine
CID 43106267
2-(4-ethylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 115803330
2-(4-bromophenyl)-1-(4-methylphenyl)ethanamine
CID 24697978
1-(3,4-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 62115577
2-(3-chloro-4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 103043034
(1R)-2-fluoro-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 130899133
(4-bromophenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 61100365
(1R)-1,2-bis(4-fluorophenyl)ethanamine
CID 42058912
1,3-dibromo-5-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 107981106
2-(4-dibenzofuran-4-ylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 173223193
1-(3-chloro-5-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 81316901
2-(4-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 55026181

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 1-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine (CID 62114714) is 1-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 1-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine is NC(Cc1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is BNHVOCAICDQTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF3N/c16-13-7-3-11(4-8-13)14(20)9-10-1-5-12(6-2-10)15(17,18)19/h1-8,14H,9,20H2.
What are the key properties of 1-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
1-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 344.17 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 62114714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).