N-[(2-bromo-5-chlorophenyl)methyl]-2,4,6-trimethylaniline

C16H17BrClN — CID 66159560

IUPACN-[(2-bromo-5-chlorophenyl)methyl]-2,4,6-trimethylaniline
SMILESCc1cc(C)c(NCc2cc(Cl)ccc2Br)c(C)c1
InChIInChI=1S/C16H17BrClN/c1-10-6-11(2)16(12(3)7-10)19-9-13-8-14(18)4-5-15(13)17/h4-8,19H,9H2,1-3H3
InChIKeyCOSFCDOIAICIKG-UHFFFAOYSA-N
MW338.68 g/mol
LogP5.64
Rot. Bonds3

About N-[(2-bromo-5-chlorophenyl)methyl]-2,4,6-trimethylaniline

N-[(2-bromo-5-chlorophenyl)methyl]-2,4,6-trimethylaniline (PubChem CID 66159560) has the molecular formula C16H17BrClN and a molecular weight of 338.68 g/mol. Its IUPAC name is N-[(2-bromo-5-chlorophenyl)methyl]-2,4,6-trimethylaniline.

Molecular Properties

Compound NameN-[(2-bromo-5-chlorophenyl)methyl]-2,4,6-trimethylaniline
PubChem CID66159560
Molecular FormulaC16H17BrClN
Molecular Weight338.68 g/mol
Exact Mass337.02
IUPAC NameN-[(2-bromo-5-chlorophenyl)methyl]-2,4,6-trimethylaniline
SMILESCc1cc(C)c(NCc2cc(Cl)ccc2Br)c(C)c1
InChIInChI=1S/C16H17BrClN/c1-10-6-11(2)16(12(3)7-10)19-9-13-8-14(18)4-5-15(13)17/h4-8,19H,9H2,1-3H3
InChIKeyCOSFCDOIAICIKG-UHFFFAOYSA-N
XLogP5.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.68
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-dibromo-N-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline
CID 66161248
N-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline
CID 66160642
4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-3,5-dimethylaniline
CID 107571724
N-[(2-bromo-5-chlorophenyl)methyl]-3,4-dimethylaniline
CID 66161237
4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2,6-difluoroaniline
CID 66155639
5-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2-methylaniline
CID 66161311
N-[(2-bromo-5-chlorophenyl)methyl]-2-fluoro-5-methylaniline
CID 66160456
N-[(2-bromo-5-chlorophenyl)methyl]-4-methylpyridin-3-amine
CID 66161162
N-[(3-bromo-4-fluorophenyl)methyl]-2,4,6-trimethylaniline
CID 63448598
1-N-[(2-bromo-5-chlorophenyl)methyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 66158897
4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2,3-dichloroaniline
CID 107787441
3-[(2-bromo-5-chlorophenyl)methylamino]-4-methylbenzonitrile
CID 66160570

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]-2,4,6-trimethylaniline?
The IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]-2,4,6-trimethylaniline (CID 66159560) is N-[(2-bromo-5-chlorophenyl)methyl]-2,4,6-trimethylaniline.
What is the SMILES notation for N-[(2-bromo-5-chlorophenyl)methyl]-2,4,6-trimethylaniline?
The canonical SMILES for N-[(2-bromo-5-chlorophenyl)methyl]-2,4,6-trimethylaniline is Cc1cc(C)c(NCc2cc(Cl)ccc2Br)c(C)c1.
What is the InChIKey of N-[(2-bromo-5-chlorophenyl)methyl]-2,4,6-trimethylaniline?
The InChIKey is COSFCDOIAICIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClN/c1-10-6-11(2)16(12(3)7-10)19-9-13-8-14(18)4-5-15(13)17/h4-8,19H,9H2,1-3H3.
What are the key properties of N-[(2-bromo-5-chlorophenyl)methyl]-2,4,6-trimethylaniline?
N-[(2-bromo-5-chlorophenyl)methyl]-2,4,6-trimethylaniline has a molecular weight of 338.68 g/mol, XLogP of 5.64, 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]-2,4,6-trimethylaniline is sourced from PubChem (CID 66159560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).