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

C14H11BrCl3N — CID 43347271

IUPAC4-bromo-2-chloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
SMILESCC(Nc1ccc(Br)cc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H11BrCl3N/c1-8(11-4-3-10(16)7-12(11)17)19-14-5-2-9(15)6-13(14)18/h2-8,19H,1H3
InChIKeyCRRFBXKVRWEWKY-UHFFFAOYSA-N
MW379.51 g/mol
LogP6.58
Rot. Bonds3

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

4-bromo-2-chloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline (PubChem CID 43347271) has the molecular formula C14H11BrCl3N and a molecular weight of 379.51 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline.

Molecular Properties

Compound Name4-bromo-2-chloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
PubChem CID43347271
Molecular FormulaC14H11BrCl3N
Molecular Weight379.51 g/mol
Exact Mass376.91
IUPAC Name4-bromo-2-chloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
SMILESCC(Nc1ccc(Br)cc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H11BrCl3N/c1-8(11-4-3-10(16)7-12(11)17)19-14-5-2-9(15)6-13(14)18/h2-8,19H,1H3
InChIKeyCRRFBXKVRWEWKY-UHFFFAOYSA-N
XLogP6.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.51
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-chloroaniline
CID 82773321
2,4-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43683199
4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylaniline
CID 82774797
5-bromo-2-[1-(2,4-dichlorophenyl)ethylamino]benzoic acid
CID 114895419
4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43347291
2,5-dibromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]aniline
CID 82774723
2,4-dichloro-N-[1-(2-chlorophenyl)ethyl]aniline
CID 43081262
5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-2-nitroaniline
CID 65341957
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-chloro-4-methylaniline
CID 82963042
N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,5-dichloroaniline
CID 82774360
N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,5-dimethylaniline
CID 82774709
2-[1-(4-bromo-2-chloroanilino)ethyl]-5-methylphenol
CID 43168129

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline?
The IUPAC name of 4-bromo-2-chloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline (CID 43347271) is 4-bromo-2-chloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline.
What is the SMILES notation for 4-bromo-2-chloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline?
The canonical SMILES for 4-bromo-2-chloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline is CC(Nc1ccc(Br)cc1Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline?
The InChIKey is CRRFBXKVRWEWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl3N/c1-8(11-4-3-10(16)7-12(11)17)19-14-5-2-9(15)6-13(14)18/h2-8,19H,1H3.
What are the key properties of 4-bromo-2-chloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline?
4-bromo-2-chloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline has a molecular weight of 379.51 g/mol, XLogP of 6.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline is sourced from PubChem (CID 43347271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).