N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,4-dimethylaniline

C16H17BrClN — CID 82774264

IUPACN-[1-(4-bromo-2-chlorophenyl)ethyl]-3,4-dimethylaniline
SMILESCc1ccc(NC(C)c2ccc(Br)cc2Cl)cc1C
InChIInChI=1S/C16H17BrClN/c1-10-4-6-14(8-11(10)2)19-12(3)15-7-5-13(17)9-16(15)18/h4-9,12,19H,1-3H3
InChIKeyLHTGYFXMLBHFCV-UHFFFAOYSA-N
MW338.68 g/mol
LogP5.89
Rot. Bonds3

About N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,4-dimethylaniline

N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,4-dimethylaniline (PubChem CID 82774264) has the molecular formula C16H17BrClN and a molecular weight of 338.68 g/mol. Its IUPAC name is N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,4-dimethylaniline.

Molecular Properties

Compound NameN-[1-(4-bromo-2-chlorophenyl)ethyl]-3,4-dimethylaniline
PubChem CID82774264
Molecular FormulaC16H17BrClN
Molecular Weight338.68 g/mol
Exact Mass337.02
IUPAC NameN-[1-(4-bromo-2-chlorophenyl)ethyl]-3,4-dimethylaniline
SMILESCc1ccc(NC(C)c2ccc(Br)cc2Cl)cc1C
InChIInChI=1S/C16H17BrClN/c1-10-4-6-14(8-11(10)2)19-12(3)15-7-5-13(17)9-16(15)18/h4-9,12,19H,1-3H3
InChIKeyLHTGYFXMLBHFCV-UHFFFAOYSA-N
XLogP5.89
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 ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,5-dimethylaniline
CID 82774709
N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-chloro-3-fluoroaniline
CID 82773327
N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,5-dichloroaniline
CID 82774360
4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylaniline
CID 82774797
4-[1-(4-bromo-2-chlorophenyl)ethylamino]-2-fluorophenol
CID 82774122
4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-chloroaniline
CID 82773321
N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-chloro-3-nitroaniline
CID 82774955
4-bromo-3-chloro-N-[1-(2,4-dibromophenyl)ethyl]aniline
CID 107618828
2,5-dibromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]aniline
CID 82774723
5-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-fluoro-2-methylaniline
CID 107591478
2-[4-[1-(4-bromo-2-chlorophenyl)ethylamino]phenyl]acetamide
CID 82775381
N-[1-(5-bromo-2-fluorophenyl)ethyl]-4-fluoro-3-methylaniline
CID 82964329

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,4-dimethylaniline?
The IUPAC name of N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,4-dimethylaniline (CID 82774264) is N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,4-dimethylaniline.
What is the SMILES notation for N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,4-dimethylaniline?
The canonical SMILES for N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,4-dimethylaniline is Cc1ccc(NC(C)c2ccc(Br)cc2Cl)cc1C.
What is the InChIKey of N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,4-dimethylaniline?
The InChIKey is LHTGYFXMLBHFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClN/c1-10-4-6-14(8-11(10)2)19-12(3)15-7-5-13(17)9-16(15)18/h4-9,12,19H,1-3H3.
What are the key properties of N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,4-dimethylaniline?
N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,4-dimethylaniline has a molecular weight of 338.68 g/mol, XLogP of 5.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,4-dimethylaniline is sourced from PubChem (CID 82774264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).