N-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline

C14H13BrClN — CID 66160642

IUPACN-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline
SMILESCc1ccc(NCc2cc(Cl)ccc2Br)cc1
InChIInChI=1S/C14H13BrClN/c1-10-2-5-13(6-3-10)17-9-11-8-12(16)4-7-14(11)15/h2-8,17H,9H2,1H3
InChIKeyQIJVENWGWLJIJA-UHFFFAOYSA-N
MW310.62 g/mol
LogP5.02
Rot. Bonds3

About N-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline

N-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline (PubChem CID 66160642) has the molecular formula C14H13BrClN and a molecular weight of 310.62 g/mol. Its IUPAC name is N-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline.

Molecular Properties

Compound NameN-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline
PubChem CID66160642
Molecular FormulaC14H13BrClN
Molecular Weight310.62 g/mol
Exact Mass308.99
IUPAC NameN-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline
SMILESCc1ccc(NCc2cc(Cl)ccc2Br)cc1
InChIInChI=1S/C14H13BrClN/c1-10-2-5-13(6-3-10)17-9-11-8-12(16)4-7-14(11)15/h2-8,17H,9H2,1H3
InChIKeyQIJVENWGWLJIJA-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

N-[(2-bromo-5-chlorophenyl)methyl]-3,4-dimethylaniline
CID 66161237
N-[(2-bromo-5-chlorophenyl)methyl]-4-methoxyaniline
CID 66160837
4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-3,5-dimethylaniline
CID 107571724
N-[4-[(2-bromo-5-chlorophenyl)methylamino]phenyl]methanesulfonamide
CID 66159928
N-[(2-bromo-5-chlorophenyl)methyl]-4-methylsulfonylaniline
CID 66160835
2,6-dibromo-N-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline
CID 66161248
4-[(2-bromo-5-chlorophenyl)methylamino]benzonitrile
CID 66159273
N-[(2-bromo-5-chlorophenyl)methyl]-2-fluoro-5-methylaniline
CID 66160456
2-[4-[(2-bromo-5-chlorophenyl)methylamino]phenyl]acetamide
CID 66160120
N-[(2-bromo-5-chlorophenyl)methyl]-2,4,6-trimethylaniline
CID 66159560
4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-3-methoxyaniline
CID 82857973
1-[4-[(2-bromo-5-chlorophenyl)methylamino]phenyl]-3-methylurea
CID 66159553

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline?
The IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline (CID 66160642) is N-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline.
What is the SMILES notation for N-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline?
The canonical SMILES for N-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline is Cc1ccc(NCc2cc(Cl)ccc2Br)cc1.
What is the InChIKey of N-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline?
The InChIKey is QIJVENWGWLJIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClN/c1-10-2-5-13(6-3-10)17-9-11-8-12(16)4-7-14(11)15/h2-8,17H,9H2,1H3.
What are the key properties of N-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline?
N-[(2-bromo-5-chlorophenyl)methyl]-4-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 N-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline is sourced from PubChem (CID 66160642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).