2-bromo-5-chloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline

C17H19BrClN — CID 81271218

IUPAC2-bromo-5-chloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
SMILESCc1cc(C)c(C(C)Nc2cc(Cl)ccc2Br)c(C)c1
InChIInChI=1S/C17H19BrClN/c1-10-7-11(2)17(12(3)8-10)13(4)20-16-9-14(19)5-6-15(16)18/h5-9,13,20H,1-4H3
InChIKeySNPHIFRFMRRLCJ-UHFFFAOYSA-N
MW352.70 g/mol
LogP6.20
Rot. Bonds3

About 2-bromo-5-chloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline

2-bromo-5-chloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline (PubChem CID 81271218) has the molecular formula C17H19BrClN and a molecular weight of 352.70 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline.

Molecular Properties

Compound Name2-bromo-5-chloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
PubChem CID81271218
Molecular FormulaC17H19BrClN
Molecular Weight352.70 g/mol
Exact Mass351.04
IUPAC Name2-bromo-5-chloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
SMILESCc1cc(C)c(C(C)Nc2cc(Cl)ccc2Br)c(C)c1
InChIInChI=1S/C17H19BrClN/c1-10-7-11(2)17(12(3)8-10)13(4)20-16-9-14(19)5-6-15(16)18/h5-9,13,20H,1-4H3
InChIKeySNPHIFRFMRRLCJ-UHFFFAOYSA-N
XLogP6.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.70
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
CID 43103984
2-bromo-5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]aniline
CID 81271462
2-bromo-5-chloro-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 81271203
2-[1-(2-bromo-5-chloroanilino)ethyl]-4-methylphenol
CID 81270628
2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylaniline
CID 82761651
2-bromo-5-chloro-N-(1-naphthalen-2-ylethyl)aniline
CID 81268026
2-bromo-5-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline
CID 81264190
2-bromo-N-[1-(3-chlorophenyl)ethyl]-5-methylaniline
CID 82761850
4-[1-(2-bromo-5-chloroanilino)ethyl]benzene-1,3-diol
CID 81270634
3-chloro-2-fluoro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
CID 43122944
2,6-dichloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
CID 65469512
2-bromo-5-chloro-N-[1-[4-(difluoromethoxy)phenyl]ethyl]aniline
CID 81269412

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline?
The IUPAC name of 2-bromo-5-chloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline (CID 81271218) is 2-bromo-5-chloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline.
What is the SMILES notation for 2-bromo-5-chloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline?
The canonical SMILES for 2-bromo-5-chloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline is Cc1cc(C)c(C(C)Nc2cc(Cl)ccc2Br)c(C)c1.
What is the InChIKey of 2-bromo-5-chloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline?
The InChIKey is SNPHIFRFMRRLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClN/c1-10-7-11(2)17(12(3)8-10)13(4)20-16-9-14(19)5-6-15(16)18/h5-9,13,20H,1-4H3.
What are the key properties of 2-bromo-5-chloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline?
2-bromo-5-chloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline has a molecular weight of 352.70 g/mol, XLogP of 6.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline is sourced from PubChem (CID 81271218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).