N-[(2-bromo-4-fluorophenyl)methyl]-1-(4-chlorophenyl)methanamine

C14H12BrClFN — CID 28738599

IUPACN-[(2-bromo-4-fluorophenyl)methyl]-1-(4-chlorophenyl)methanamine
SMILESFc1ccc(CNCc2ccc(Cl)cc2)c(Br)c1
InChIInChI=1S/C14H12BrClFN/c15-14-7-13(17)6-3-11(14)9-18-8-10-1-4-12(16)5-2-10/h1-7,18H,8-9H2
InChIKeyOOPSEGIKWLDSCM-UHFFFAOYSA-N
MW328.61 g/mol
LogP4.53
Rot. Bonds4

About N-[(2-bromo-4-fluorophenyl)methyl]-1-(4-chlorophenyl)methanamine

N-[(2-bromo-4-fluorophenyl)methyl]-1-(4-chlorophenyl)methanamine (PubChem CID 28738599) has the molecular formula C14H12BrClFN and a molecular weight of 328.61 g/mol. Its IUPAC name is N-[(2-bromo-4-fluorophenyl)methyl]-1-(4-chlorophenyl)methanamine.

Molecular Properties

Compound NameN-[(2-bromo-4-fluorophenyl)methyl]-1-(4-chlorophenyl)methanamine
PubChem CID28738599
Molecular FormulaC14H12BrClFN
Molecular Weight328.61 g/mol
Exact Mass326.98
IUPAC NameN-[(2-bromo-4-fluorophenyl)methyl]-1-(4-chlorophenyl)methanamine
SMILESFc1ccc(CNCc2ccc(Cl)cc2)c(Br)c1
InChIInChI=1S/C14H12BrClFN/c15-14-7-13(17)6-3-11(14)9-18-8-10-1-4-12(16)5-2-10/h1-7,18H,8-9H2
InChIKeyOOPSEGIKWLDSCM-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.61
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-fluorophenyl)methyl]-1-(4-chlorophenyl)methanamine?
The IUPAC name of N-[(2-bromo-4-fluorophenyl)methyl]-1-(4-chlorophenyl)methanamine (CID 28738599) is N-[(2-bromo-4-fluorophenyl)methyl]-1-(4-chlorophenyl)methanamine.
What is the SMILES notation for N-[(2-bromo-4-fluorophenyl)methyl]-1-(4-chlorophenyl)methanamine?
The canonical SMILES for N-[(2-bromo-4-fluorophenyl)methyl]-1-(4-chlorophenyl)methanamine is Fc1ccc(CNCc2ccc(Cl)cc2)c(Br)c1.
What is the InChIKey of N-[(2-bromo-4-fluorophenyl)methyl]-1-(4-chlorophenyl)methanamine?
The InChIKey is OOPSEGIKWLDSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFN/c15-14-7-13(17)6-3-11(14)9-18-8-10-1-4-12(16)5-2-10/h1-7,18H,8-9H2.
What are the key properties of N-[(2-bromo-4-fluorophenyl)methyl]-1-(4-chlorophenyl)methanamine?
N-[(2-bromo-4-fluorophenyl)methyl]-1-(4-chlorophenyl)methanamine has a molecular weight of 328.61 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-fluorophenyl)methyl]-1-(4-chlorophenyl)methanamine is sourced from PubChem (CID 28738599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).