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

C17H18BrClFN — CID 107610244

IUPAC2-bromo-6-chloro-4-fluoro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
SMILESCc1cc(C)c(C(C)Nc2c(Cl)cc(F)cc2Br)c(C)c1
InChIInChI=1S/C17H18BrClFN/c1-9-5-10(2)16(11(3)6-9)12(4)21-17-14(18)7-13(20)8-15(17)19/h5-8,12,21H,1-4H3
InChIKeySRKATLNSVYTUDN-UHFFFAOYSA-N
MW370.69 g/mol
LogP6.34
Rot. Bonds3

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

2-bromo-6-chloro-4-fluoro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline (PubChem CID 107610244) has the molecular formula C17H18BrClFN and a molecular weight of 370.69 g/mol. Its IUPAC name is 2-bromo-6-chloro-4-fluoro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline.

Molecular Properties

Compound Name2-bromo-6-chloro-4-fluoro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
PubChem CID107610244
Molecular FormulaC17H18BrClFN
Molecular Weight370.69 g/mol
Exact Mass369.03
IUPAC Name2-bromo-6-chloro-4-fluoro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
SMILESCc1cc(C)c(C(C)Nc2c(Cl)cc(F)cc2Br)c(C)c1
InChIInChI=1S/C17H18BrClFN/c1-9-5-10(2)16(11(3)6-9)12(4)21-17-14(18)7-13(20)8-15(17)19/h5-8,12,21H,1-4H3
InChIKeySRKATLNSVYTUDN-UHFFFAOYSA-N
XLogP6.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.69
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(2-bromo-6-chloro-4-fluoroanilino)ethyl]-5-methylphenol
CID 107610722
2-[1-(2-bromo-6-chloro-4-fluoroanilino)ethyl]-4-methylphenol
CID 107610158
2-bromo-6-chloro-N-(1,1-difluoropropan-2-yl)-4-fluoroaniline
CID 107610495
2-bromo-6-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-fluoroaniline
CID 107610390
2,6-dichloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
CID 65469512
2-bromo-6-chloro-4-fluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 107610172
2-bromo-6-chloro-N-(2,6-dimethylheptan-4-yl)-4-fluoroaniline
CID 107610149
2-bromo-N-but-3-yn-2-yl-6-chloro-4-fluoroaniline
CID 107611249
2-bromo-6-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]-4-fluoroaniline
CID 107610538
4-[1-(2-bromo-6-chloro-4-fluoroanilino)ethyl]benzonitrile
CID 107610420
2-(2-bromo-6-chloro-4-fluoroanilino)propanamide
CID 107611552
2-bromo-5-chloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
CID 81271218

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-4-fluoro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline?
The IUPAC name of 2-bromo-6-chloro-4-fluoro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline (CID 107610244) is 2-bromo-6-chloro-4-fluoro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline.
What is the SMILES notation for 2-bromo-6-chloro-4-fluoro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline?
The canonical SMILES for 2-bromo-6-chloro-4-fluoro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline is Cc1cc(C)c(C(C)Nc2c(Cl)cc(F)cc2Br)c(C)c1.
What is the InChIKey of 2-bromo-6-chloro-4-fluoro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline?
The InChIKey is SRKATLNSVYTUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClFN/c1-9-5-10(2)16(11(3)6-9)12(4)21-17-14(18)7-13(20)8-15(17)19/h5-8,12,21H,1-4H3.
What are the key properties of 2-bromo-6-chloro-4-fluoro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline?
2-bromo-6-chloro-4-fluoro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline has a molecular weight of 370.69 g/mol, XLogP of 6.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-chloro-4-fluoro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline is sourced from PubChem (CID 107610244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).