2-bromo-N-[1-(3-chlorophenyl)ethyl]-5-methylaniline

C15H15BrClN — CID 82761850

IUPAC2-bromo-N-[1-(3-chlorophenyl)ethyl]-5-methylaniline
SMILESCc1ccc(Br)c(NC(C)c2cccc(Cl)c2)c1
InChIInChI=1S/C15H15BrClN/c1-10-6-7-14(16)15(8-10)18-11(2)12-4-3-5-13(17)9-12/h3-9,11,18H,1-2H3
InChIKeyPNGOAZXGFFPYEN-UHFFFAOYSA-N
MW324.65 g/mol
LogP5.58
Rot. Bonds3

About 2-bromo-N-[1-(3-chlorophenyl)ethyl]-5-methylaniline

2-bromo-N-[1-(3-chlorophenyl)ethyl]-5-methylaniline (PubChem CID 82761850) has the molecular formula C15H15BrClN and a molecular weight of 324.65 g/mol. Its IUPAC name is 2-bromo-N-[1-(3-chlorophenyl)ethyl]-5-methylaniline.

Molecular Properties

Compound Name2-bromo-N-[1-(3-chlorophenyl)ethyl]-5-methylaniline
PubChem CID82761850
Molecular FormulaC15H15BrClN
Molecular Weight324.65 g/mol
Exact Mass323.01
IUPAC Name2-bromo-N-[1-(3-chlorophenyl)ethyl]-5-methylaniline
SMILESCc1ccc(Br)c(NC(C)c2cccc(Cl)c2)c1
InChIInChI=1S/C15H15BrClN/c1-10-6-7-14(16)15(8-10)18-11(2)12-4-3-5-13(17)9-12/h3-9,11,18H,1-2H3
InChIKeyPNGOAZXGFFPYEN-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

2-bromo-5-chloro-N-[1-(3-chlorophenyl)ethyl]-4-methylaniline
CID 104723041
2-bromo-4-chloro-N-[1-(3-methylphenyl)ethyl]aniline
CID 81264080
2-[1-(3-chlorophenyl)ethylamino]-4-methylbenzoic acid
CID 63511697
4-bromo-N-[1-(3-chlorophenyl)ethyl]-3-methylaniline
CID 43105622
4-bromo-2,3-dichloro-N-[1-(3-methylphenyl)ethyl]aniline
CID 107788093
2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylaniline
CID 82761651
2-bromo-3-chloro-N-[1-(3-chlorophenyl)ethyl]aniline
CID 103478545
2,4-dichloro-N-[1-(3-methylphenyl)ethyl]aniline
CID 43758710
2-bromo-5-chloro-N-(1-naphthalen-2-ylethyl)aniline
CID 81268026
2-bromo-5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]aniline
CID 81271462
3-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzene-1,3-diamine
CID 55147569
2-[1-(2-bromo-5-chloroanilino)ethyl]-4-methylphenol
CID 81270628

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(3-chlorophenyl)ethyl]-5-methylaniline?
The IUPAC name of 2-bromo-N-[1-(3-chlorophenyl)ethyl]-5-methylaniline (CID 82761850) is 2-bromo-N-[1-(3-chlorophenyl)ethyl]-5-methylaniline.
What is the SMILES notation for 2-bromo-N-[1-(3-chlorophenyl)ethyl]-5-methylaniline?
The canonical SMILES for 2-bromo-N-[1-(3-chlorophenyl)ethyl]-5-methylaniline is Cc1ccc(Br)c(NC(C)c2cccc(Cl)c2)c1.
What is the InChIKey of 2-bromo-N-[1-(3-chlorophenyl)ethyl]-5-methylaniline?
The InChIKey is PNGOAZXGFFPYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN/c1-10-6-7-14(16)15(8-10)18-11(2)12-4-3-5-13(17)9-12/h3-9,11,18H,1-2H3.
What are the key properties of 2-bromo-N-[1-(3-chlorophenyl)ethyl]-5-methylaniline?
2-bromo-N-[1-(3-chlorophenyl)ethyl]-5-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 2-bromo-N-[1-(3-chlorophenyl)ethyl]-5-methylaniline is sourced from PubChem (CID 82761850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).