5-bromo-N-[(2-chlorophenyl)methyl]-2-methylaniline

C14H13BrClN — CID 43729443

IUPAC5-bromo-N-[(2-chlorophenyl)methyl]-2-methylaniline
SMILESCc1ccc(Br)cc1NCc1ccccc1Cl
InChIInChI=1S/C14H13BrClN/c1-10-6-7-12(15)8-14(10)17-9-11-4-2-3-5-13(11)16/h2-8,17H,9H2,1H3
InChIKeyCUPVFJGTKKTBAM-UHFFFAOYSA-N
MW310.62 g/mol
LogP5.02
Rot. Bonds3

About 5-bromo-N-[(2-chlorophenyl)methyl]-2-methylaniline

5-bromo-N-[(2-chlorophenyl)methyl]-2-methylaniline (PubChem CID 43729443) has the molecular formula C14H13BrClN and a molecular weight of 310.62 g/mol. Its IUPAC name is 5-bromo-N-[(2-chlorophenyl)methyl]-2-methylaniline.

Molecular Properties

Compound Name5-bromo-N-[(2-chlorophenyl)methyl]-2-methylaniline
PubChem CID43729443
Molecular FormulaC14H13BrClN
Molecular Weight310.62 g/mol
Exact Mass308.99
IUPAC Name5-bromo-N-[(2-chlorophenyl)methyl]-2-methylaniline
SMILESCc1ccc(Br)cc1NCc1ccccc1Cl
InChIInChI=1S/C14H13BrClN/c1-10-6-7-12(15)8-14(10)17-9-11-4-2-3-5-13(11)16/h2-8,17H,9H2,1H3
InChIKeyCUPVFJGTKKTBAM-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.62
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-dibromo-N-[(2-chlorophenyl)methyl]aniline
CID 43432251
2,4-dibromo-N-[(2-chlorophenyl)methyl]aniline
CID 43229923
2-bromo-5-chloro-N-[(2-chlorophenyl)methyl]-4-methylaniline
CID 104722481
N-[(5-bromo-2-chlorophenyl)methyl]-5-fluoro-2-methylaniline
CID 114076385
5-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2-methylaniline
CID 66161311
2-[(5-bromo-2-methylanilino)methyl]-4-chlorophenol
CID 43729647
5-bromo-2-chloro-N-[(2,5-dimethylphenyl)methyl]aniline
CID 63477043
N-[(5-bromo-2-chlorophenyl)methyl]-2-methyl-5-methylsulfonylaniline
CID 103696975
N-(1-benzothiophen-3-ylmethyl)-5-bromo-2-methylaniline
CID 63445567
N-[3-[(2-chlorophenyl)methylamino]-4-methylphenyl]propanamide
CID 43677249
2-chloro-N-[(2-chlorophenyl)methyl]-3-methylaniline
CID 114251746
4-[(5-bromo-2-methylanilino)methyl]benzene-1,2,3-triol
CID 103952954

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-chlorophenyl)methyl]-2-methylaniline?
The IUPAC name of 5-bromo-N-[(2-chlorophenyl)methyl]-2-methylaniline (CID 43729443) is 5-bromo-N-[(2-chlorophenyl)methyl]-2-methylaniline.
What is the SMILES notation for 5-bromo-N-[(2-chlorophenyl)methyl]-2-methylaniline?
The canonical SMILES for 5-bromo-N-[(2-chlorophenyl)methyl]-2-methylaniline is Cc1ccc(Br)cc1NCc1ccccc1Cl.
What is the InChIKey of 5-bromo-N-[(2-chlorophenyl)methyl]-2-methylaniline?
The InChIKey is CUPVFJGTKKTBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClN/c1-10-6-7-12(15)8-14(10)17-9-11-4-2-3-5-13(11)16/h2-8,17H,9H2,1H3.
What are the key properties of 5-bromo-N-[(2-chlorophenyl)methyl]-2-methylaniline?
5-bromo-N-[(2-chlorophenyl)methyl]-2-methylaniline has a molecular weight of 310.62 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-chlorophenyl)methyl]-2-methylaniline is sourced from PubChem (CID 43729443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).