2-bromo-3-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline

C16H17BrClN — CID 103477851

IUPAC2-bromo-3-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline
SMILESCc1ccc(C(C)Nc2cccc(Cl)c2Br)c(C)c1
InChIInChI=1S/C16H17BrClN/c1-10-7-8-13(11(2)9-10)12(3)19-15-6-4-5-14(18)16(15)17/h4-9,12,19H,1-3H3
InChIKeyQFMRLQCTWIQYPO-UHFFFAOYSA-N
MW338.68 g/mol
LogP5.89
Rot. Bonds3

About 2-bromo-3-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline

2-bromo-3-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline (PubChem CID 103477851) has the molecular formula C16H17BrClN and a molecular weight of 338.68 g/mol. Its IUPAC name is 2-bromo-3-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline.

Molecular Properties

Compound Name2-bromo-3-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline
PubChem CID103477851
Molecular FormulaC16H17BrClN
Molecular Weight338.68 g/mol
Exact Mass337.02
IUPAC Name2-bromo-3-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline
SMILESCc1ccc(C(C)Nc2cccc(Cl)c2Br)c(C)c1
InChIInChI=1S/C16H17BrClN/c1-10-7-8-13(11(2)9-10)12(3)19-15-6-4-5-14(18)16(15)17/h4-9,12,19H,1-3H3
InChIKeyQFMRLQCTWIQYPO-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

2-bromo-3-chloro-N-[1-(2,5-difluoro-4-methylphenyl)ethyl]aniline
CID 103478414
2-bromo-3-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]aniline
CID 103478123
2,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 43105982
2,6-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 107597666
2-bromo-3-chloro-N-propan-2-ylaniline
CID 103478632
2,5-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 43736793
2-bromo-3-chloro-N-[1-(3-chlorophenyl)ethyl]aniline
CID 103478545
N-[1-(2,4-dimethylphenyl)ethyl]-2-ethylaniline
CID 43096079
3-[1-(2-bromo-3-chloroanilino)ethyl]phenol
CID 103477986
2,3-dichloro-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline
CID 43772205
4-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 43097496
2-bromo-3-chloro-N-[1-(3,4-difluorophenyl)ethyl]aniline
CID 103477852

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline?
The IUPAC name of 2-bromo-3-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline (CID 103477851) is 2-bromo-3-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline.
What is the SMILES notation for 2-bromo-3-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline?
The canonical SMILES for 2-bromo-3-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline is Cc1ccc(C(C)Nc2cccc(Cl)c2Br)c(C)c1.
What is the InChIKey of 2-bromo-3-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline?
The InChIKey is QFMRLQCTWIQYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClN/c1-10-7-8-13(11(2)9-10)12(3)19-15-6-4-5-14(18)16(15)17/h4-9,12,19H,1-3H3.
What are the key properties of 2-bromo-3-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline?
2-bromo-3-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline 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 2-bromo-3-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline is sourced from PubChem (CID 103477851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).