4-bromo-N-[1-(2-chlorophenyl)ethyl]-2-methylaniline

C15H15BrClN — CID 43082336

IUPAC4-bromo-N-[1-(2-chlorophenyl)ethyl]-2-methylaniline
SMILESCc1cc(Br)ccc1NC(C)c1ccccc1Cl
InChIInChI=1S/C15H15BrClN/c1-10-9-12(16)7-8-15(10)18-11(2)13-5-3-4-6-14(13)17/h3-9,11,18H,1-2H3
InChIKeyOHINHHZBNBWNAW-UHFFFAOYSA-N
MW324.65 g/mol
LogP5.58
Rot. Bonds3

About 4-bromo-N-[1-(2-chlorophenyl)ethyl]-2-methylaniline

4-bromo-N-[1-(2-chlorophenyl)ethyl]-2-methylaniline (PubChem CID 43082336) has the molecular formula C15H15BrClN and a molecular weight of 324.65 g/mol. Its IUPAC name is 4-bromo-N-[1-(2-chlorophenyl)ethyl]-2-methylaniline.

Molecular Properties

Compound Name4-bromo-N-[1-(2-chlorophenyl)ethyl]-2-methylaniline
PubChem CID43082336
Molecular FormulaC15H15BrClN
Molecular Weight324.65 g/mol
Exact Mass323.01
IUPAC Name4-bromo-N-[1-(2-chlorophenyl)ethyl]-2-methylaniline
SMILESCc1cc(Br)ccc1NC(C)c1ccccc1Cl
InChIInChI=1S/C15H15BrClN/c1-10-9-12(16)7-8-15(10)18-11(2)13-5-3-4-6-14(13)17/h3-9,11,18H,1-2H3
InChIKeyOHINHHZBNBWNAW-UHFFFAOYSA-N
XLogP5.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.65
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylaniline
CID 82774797
5-bromo-2-[1-(2-chlorophenyl)ethylamino]benzoic acid
CID 114895551
4-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-methylaniline
CID 43100277
4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-chloroaniline
CID 82773321
4-bromo-N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-methylaniline
CID 82962050
2,4-dichloro-N-[1-(2-chlorophenyl)ethyl]aniline
CID 43081262
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methylaniline
CID 43766127
5-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-fluoro-2-methylaniline
CID 107591478
4-bromo-2-chloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43347271
4-bromo-N-[1-(2-methylphenyl)ethyl]-2-(trifluoromethyl)aniline
CID 60790956
N-[4-[1-(2-chlorophenyl)ethylamino]-2-methylphenyl]acetamide
CID 43672852
5-bromo-N-[1-(2-chlorophenyl)ethyl]-2-methylbenzamide
CID 65311511

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(2-chlorophenyl)ethyl]-2-methylaniline?
The IUPAC name of 4-bromo-N-[1-(2-chlorophenyl)ethyl]-2-methylaniline (CID 43082336) is 4-bromo-N-[1-(2-chlorophenyl)ethyl]-2-methylaniline.
What is the SMILES notation for 4-bromo-N-[1-(2-chlorophenyl)ethyl]-2-methylaniline?
The canonical SMILES for 4-bromo-N-[1-(2-chlorophenyl)ethyl]-2-methylaniline is Cc1cc(Br)ccc1NC(C)c1ccccc1Cl.
What is the InChIKey of 4-bromo-N-[1-(2-chlorophenyl)ethyl]-2-methylaniline?
The InChIKey is OHINHHZBNBWNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN/c1-10-9-12(16)7-8-15(10)18-11(2)13-5-3-4-6-14(13)17/h3-9,11,18H,1-2H3.
What are the key properties of 4-bromo-N-[1-(2-chlorophenyl)ethyl]-2-methylaniline?
4-bromo-N-[1-(2-chlorophenyl)ethyl]-2-methylaniline has a molecular weight of 324.65 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(2-chlorophenyl)ethyl]-2-methylaniline is sourced from PubChem (CID 43082336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).