2-bromo-6-[(2-chloro-5-fluorophenyl)methyl]-N-methylaniline

C14H12BrClFN — CID 170702732

IUPAC2-bromo-6-[(2-chloro-5-fluorophenyl)methyl]-N-methylaniline
SMILESCNc1c(Br)cccc1Cc1cc(F)ccc1Cl
InChIInChI=1S/C14H12BrClFN/c1-18-14-9(3-2-4-12(14)15)7-10-8-11(17)5-6-13(10)16/h2-6,8,18H,7H2,1H3
InChIKeyDAJJMRHQPRLWET-UHFFFAOYSA-N
MW328.61 g/mol
LogP4.87
Rot. Bonds3

About 2-bromo-6-[(2-chloro-5-fluorophenyl)methyl]-N-methylaniline

2-bromo-6-[(2-chloro-5-fluorophenyl)methyl]-N-methylaniline (PubChem CID 170702732) has the molecular formula C14H12BrClFN and a molecular weight of 328.61 g/mol. Its IUPAC name is 2-bromo-6-[(2-chloro-5-fluorophenyl)methyl]-N-methylaniline.

Molecular Properties

Compound Name2-bromo-6-[(2-chloro-5-fluorophenyl)methyl]-N-methylaniline
PubChem CID170702732
Molecular FormulaC14H12BrClFN
Molecular Weight328.61 g/mol
Exact Mass326.98
IUPAC Name2-bromo-6-[(2-chloro-5-fluorophenyl)methyl]-N-methylaniline
SMILESCNc1c(Br)cccc1Cc1cc(F)ccc1Cl
InChIInChI=1S/C14H12BrClFN/c1-18-14-9(3-2-4-12(14)15)7-10-8-11(17)5-6-13(10)16/h2-6,8,18H,7H2,1H3
InChIKeyDAJJMRHQPRLWET-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.61
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-2-(2-chloro-6-fluorophenyl)-2,3-dihydro-1H-indole
CID 68391194
N'-(2-bromophenyl)-N-[(2-chloro-4-fluorophenyl)methyl]ethane-1,2-diamine
CID 68761945
3-Bromo-6-fluoro-2-(methylamino)benzenecarboximidoyl chloride
CID 88874845
N-(2-bromophenyl)-N'-[(2-chloro-4-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 91255703
8-bromo-1-[(3,6-dichloro-2-fluorophenyl)methyl]-2-methyl-2H-quinolin-4-amine
CID 149899557
8-bromo-1-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-2-methyl-2H-quinolin-4-amine
CID 152703884
2-bromo-4-fluoro-N-methyl-6-prop-1-en-2-ylaniline
CID 153394765
2-bromo-6-[1-(2-chloro-5-fluorophenyl)ethenyl]-N-methylaniline
CID 170702573
6-Bromo-3-chloro-2-[(2-chloro-5-fluorophenyl)methyl]aniline
CID 170702580
6-Bromo-2-[(2-chlorophenyl)methyl]-3-fluoroaniline
CID 170702598
6-bromo-2-[(2-chloro-5-fluorophenyl)methyl]-N,3-dimethylaniline
CID 170702602
6-Bromo-3-chloro-2-[(2-fluorophenyl)methyl]aniline
CID 170702612

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(2-chloro-5-fluorophenyl)methyl]-N-methylaniline?
The IUPAC name of 2-bromo-6-[(2-chloro-5-fluorophenyl)methyl]-N-methylaniline (CID 170702732) is 2-bromo-6-[(2-chloro-5-fluorophenyl)methyl]-N-methylaniline.
What is the SMILES notation for 2-bromo-6-[(2-chloro-5-fluorophenyl)methyl]-N-methylaniline?
The canonical SMILES for 2-bromo-6-[(2-chloro-5-fluorophenyl)methyl]-N-methylaniline is CNc1c(Br)cccc1Cc1cc(F)ccc1Cl.
What is the InChIKey of 2-bromo-6-[(2-chloro-5-fluorophenyl)methyl]-N-methylaniline?
The InChIKey is DAJJMRHQPRLWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFN/c1-18-14-9(3-2-4-12(14)15)7-10-8-11(17)5-6-13(10)16/h2-6,8,18H,7H2,1H3.
What are the key properties of 2-bromo-6-[(2-chloro-5-fluorophenyl)methyl]-N-methylaniline?
2-bromo-6-[(2-chloro-5-fluorophenyl)methyl]-N-methylaniline has a molecular weight of 328.61 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(2-chloro-5-fluorophenyl)methyl]-N-methylaniline is sourced from PubChem (CID 170702732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).