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

C14H11BrCl2FN — CID 103478123

IUPAC2-bromo-3-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]aniline
SMILESCC(Nc1cccc(Cl)c1Br)c1ccc(F)cc1Cl
InChIInChI=1S/C14H11BrCl2FN/c1-8(10-6-5-9(18)7-12(10)17)19-13-4-2-3-11(16)14(13)15/h2-8,19H,1H3
InChIKeyPPQXQUHTHWMJEM-UHFFFAOYSA-N
MW363.06 g/mol
LogP6.07
Rot. Bonds3

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

2-bromo-3-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]aniline (PubChem CID 103478123) has the molecular formula C14H11BrCl2FN and a molecular weight of 363.06 g/mol. Its IUPAC name is 2-bromo-3-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]aniline.

Molecular Properties

Compound Name2-bromo-3-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]aniline
PubChem CID103478123
Molecular FormulaC14H11BrCl2FN
Molecular Weight363.06 g/mol
Exact Mass360.94
IUPAC Name2-bromo-3-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]aniline
SMILESCC(Nc1cccc(Cl)c1Br)c1ccc(F)cc1Cl
InChIInChI=1S/C14H11BrCl2FN/c1-8(10-6-5-9(18)7-12(10)17)19-13-4-2-3-11(16)14(13)15/h2-8,19H,1H3
InChIKeyPPQXQUHTHWMJEM-UHFFFAOYSA-N
XLogP6.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.06
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-5-fluoroaniline
CID 107633412
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methylaniline
CID 43766127
2-bromo-3-chloro-N-[1-(2,5-difluoro-4-methylphenyl)ethyl]aniline
CID 103478414
3-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-(methoxymethyl)aniline
CID 63452652
2-bromo-3-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 103477851
2-bromo-3-chloro-N-[1-(3,4-difluorophenyl)ethyl]aniline
CID 103477852
4-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-2,6-dimethylaniline
CID 63449107
2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methylaniline
CID 43772675
2-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-3-chloroaniline
CID 103478235
2-bromo-3-chloro-N-propan-2-ylaniline
CID 103478632
2-bromo-3-chloro-N-[1-(3-chlorophenyl)ethyl]aniline
CID 103478545
N-[1-(2-chloro-4-fluorophenyl)ethyl]-3-ethynylaniline
CID 43755518

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]aniline?
The IUPAC name of 2-bromo-3-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]aniline (CID 103478123) is 2-bromo-3-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]aniline.
What is the SMILES notation for 2-bromo-3-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]aniline?
The canonical SMILES for 2-bromo-3-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]aniline is CC(Nc1cccc(Cl)c1Br)c1ccc(F)cc1Cl.
What is the InChIKey of 2-bromo-3-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]aniline?
The InChIKey is PPQXQUHTHWMJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2FN/c1-8(10-6-5-9(18)7-12(10)17)19-13-4-2-3-11(16)14(13)15/h2-8,19H,1H3.
What are the key properties of 2-bromo-3-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]aniline?
2-bromo-3-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]aniline has a molecular weight of 363.06 g/mol, XLogP of 6.07, 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-chloro-4-fluorophenyl)ethyl]aniline is sourced from PubChem (CID 103478123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).