[4-bromo-2-(trifluoromethyl)phenyl]-(3-chlorophenyl)methanamine

C14H10BrClF3N — CID 62689663

IUPAC[4-bromo-2-(trifluoromethyl)phenyl]-(3-chlorophenyl)methanamine
SMILESNC(c1cccc(Cl)c1)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H10BrClF3N/c15-9-4-5-11(12(7-9)14(17,18)19)13(20)8-2-1-3-10(16)6-8/h1-7,13H,20H2
InChIKeyRWCPVMGOPJBKQC-UHFFFAOYSA-N
MW364.59 g/mol
LogP5.17
Rot. Bonds2

About [4-bromo-2-(trifluoromethyl)phenyl]-(3-chlorophenyl)methanamine

[4-bromo-2-(trifluoromethyl)phenyl]-(3-chlorophenyl)methanamine (PubChem CID 62689663) has the molecular formula C14H10BrClF3N and a molecular weight of 364.59 g/mol. Its IUPAC name is [4-bromo-2-(trifluoromethyl)phenyl]-(3-chlorophenyl)methanamine.

Molecular Properties

Compound Name[4-bromo-2-(trifluoromethyl)phenyl]-(3-chlorophenyl)methanamine
PubChem CID62689663
Molecular FormulaC14H10BrClF3N
Molecular Weight364.59 g/mol
Exact Mass362.96
IUPAC Name[4-bromo-2-(trifluoromethyl)phenyl]-(3-chlorophenyl)methanamine
SMILESNC(c1cccc(Cl)c1)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H10BrClF3N/c15-9-4-5-11(12(7-9)14(17,18)19)13(20)8-2-1-3-10(16)6-8/h1-7,13H,20H2
InChIKeyRWCPVMGOPJBKQC-UHFFFAOYSA-N
XLogP5.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.59
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-(trifluoromethyl)phenyl]-(3-chlorophenyl)methanamine?
The IUPAC name of [4-bromo-2-(trifluoromethyl)phenyl]-(3-chlorophenyl)methanamine (CID 62689663) is [4-bromo-2-(trifluoromethyl)phenyl]-(3-chlorophenyl)methanamine.
What is the SMILES notation for [4-bromo-2-(trifluoromethyl)phenyl]-(3-chlorophenyl)methanamine?
The canonical SMILES for [4-bromo-2-(trifluoromethyl)phenyl]-(3-chlorophenyl)methanamine is NC(c1cccc(Cl)c1)c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of [4-bromo-2-(trifluoromethyl)phenyl]-(3-chlorophenyl)methanamine?
The InChIKey is RWCPVMGOPJBKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClF3N/c15-9-4-5-11(12(7-9)14(17,18)19)13(20)8-2-1-3-10(16)6-8/h1-7,13H,20H2.
What are the key properties of [4-bromo-2-(trifluoromethyl)phenyl]-(3-chlorophenyl)methanamine?
[4-bromo-2-(trifluoromethyl)phenyl]-(3-chlorophenyl)methanamine has a molecular weight of 364.59 g/mol, XLogP of 5.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-(trifluoromethyl)phenyl]-(3-chlorophenyl)methanamine is sourced from PubChem (CID 62689663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).