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

C16H16BrClFN — CID 63458512

IUPACN-[(2-bromo-4-fluorophenyl)methyl]-1-(4-chlorophenyl)-N-methylethanamine
SMILESCC(c1ccc(Cl)cc1)N(C)Cc1ccc(F)cc1Br
InChIInChI=1S/C16H16BrClFN/c1-11(12-3-6-14(18)7-4-12)20(2)10-13-5-8-15(19)9-16(13)17/h3-9,11H,10H2,1-2H3
InChIKeyQMZDUTRDCLIKSJ-UHFFFAOYSA-N
MW356.67 g/mol
LogP5.43
Rot. Bonds4

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

N-[(2-bromo-4-fluorophenyl)methyl]-1-(4-chlorophenyl)-N-methylethanamine (PubChem CID 63458512) has the molecular formula C16H16BrClFN and a molecular weight of 356.67 g/mol. Its IUPAC name is N-[(2-bromo-4-fluorophenyl)methyl]-1-(4-chlorophenyl)-N-methylethanamine.

Molecular Properties

Compound NameN-[(2-bromo-4-fluorophenyl)methyl]-1-(4-chlorophenyl)-N-methylethanamine
PubChem CID63458512
Molecular FormulaC16H16BrClFN
Molecular Weight356.67 g/mol
Exact Mass355.01
IUPAC NameN-[(2-bromo-4-fluorophenyl)methyl]-1-(4-chlorophenyl)-N-methylethanamine
SMILESCC(c1ccc(Cl)cc1)N(C)Cc1ccc(F)cc1Br
InChIInChI=1S/C16H16BrClFN/c1-11(12-3-6-14(18)7-4-12)20(2)10-13-5-8-15(19)9-16(13)17/h3-9,11H,10H2,1-2H3
InChIKeyQMZDUTRDCLIKSJ-UHFFFAOYSA-N
XLogP5.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.67
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[1-[(2-bromo-4-fluorophenyl)methyl-methylamino]ethyl]benzenesulfonamide
CID 16594985
N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-1-(4-chlorophenyl)-N-methylethanamine
CID 102662933
2-(2-bromo-4-fluorophenyl)-1-(4-chlorophenyl)-N-ethylethanamine
CID 63414075
4-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-3-methoxyaniline
CID 107208402
4-[(1S)-1-[(5-fluoro-2-methylphenyl)methyl-methylamino]ethyl]benzenesulfonamide
CID 124885486
(1S)-1-(4-chlorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethanamine
CID 138056238
N-[(2-bromo-4-fluorophenyl)methyl]-N-(2-chloroethyl)propan-2-amine
CID 63387791
4-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-5-methylthiophene-2-carboxylic acid
CID 80720286
N-(2-bromoethyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 62984148
N-[(2-bromo-4-fluorophenyl)methyl]-4-propan-2-ylaniline
CID 28511745
(1S)-N-[(2-bromo-5-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 81355189
2-bromo-1-[(4-chlorophenoxy)methyl]-4-fluorobenzene
CID 63457531

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-fluorophenyl)methyl]-1-(4-chlorophenyl)-N-methylethanamine?
The IUPAC name of N-[(2-bromo-4-fluorophenyl)methyl]-1-(4-chlorophenyl)-N-methylethanamine (CID 63458512) is N-[(2-bromo-4-fluorophenyl)methyl]-1-(4-chlorophenyl)-N-methylethanamine.
What is the SMILES notation for N-[(2-bromo-4-fluorophenyl)methyl]-1-(4-chlorophenyl)-N-methylethanamine?
The canonical SMILES for N-[(2-bromo-4-fluorophenyl)methyl]-1-(4-chlorophenyl)-N-methylethanamine is CC(c1ccc(Cl)cc1)N(C)Cc1ccc(F)cc1Br.
What is the InChIKey of N-[(2-bromo-4-fluorophenyl)methyl]-1-(4-chlorophenyl)-N-methylethanamine?
The InChIKey is QMZDUTRDCLIKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClFN/c1-11(12-3-6-14(18)7-4-12)20(2)10-13-5-8-15(19)9-16(13)17/h3-9,11H,10H2,1-2H3.
What are the key properties of N-[(2-bromo-4-fluorophenyl)methyl]-1-(4-chlorophenyl)-N-methylethanamine?
N-[(2-bromo-4-fluorophenyl)methyl]-1-(4-chlorophenyl)-N-methylethanamine has a molecular weight of 356.67 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 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)-N-methylethanamine is sourced from PubChem (CID 63458512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).