4-bromo-2,6-dichloro-N-(2-phenoxyethyl)aniline

C14H12BrCl2NO — CID 63487856

IUPAC4-bromo-2,6-dichloro-N-(2-phenoxyethyl)aniline
SMILESClc1cc(Br)cc(Cl)c1NCCOc1ccccc1
InChIInChI=1S/C14H12BrCl2NO/c15-10-8-12(16)14(13(17)9-10)18-6-7-19-11-4-2-1-3-5-11/h1-5,8-9,18H,6-7H2
InChIKeyWCJPQLYDHILXPD-UHFFFAOYSA-N
MW361.07 g/mol
LogP5.25
Rot. Bonds5

About 4-bromo-2,6-dichloro-N-(2-phenoxyethyl)aniline

4-bromo-2,6-dichloro-N-(2-phenoxyethyl)aniline (PubChem CID 63487856) has the molecular formula C14H12BrCl2NO and a molecular weight of 361.07 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(2-phenoxyethyl)aniline.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(2-phenoxyethyl)aniline
PubChem CID63487856
Molecular FormulaC14H12BrCl2NO
Molecular Weight361.07 g/mol
Exact Mass358.95
IUPAC Name4-bromo-2,6-dichloro-N-(2-phenoxyethyl)aniline
SMILESClc1cc(Br)cc(Cl)c1NCCOc1ccccc1
InChIInChI=1S/C14H12BrCl2NO/c15-10-8-12(16)14(13(17)9-10)18-6-7-19-11-4-2-1-3-5-11/h1-5,8-9,18H,6-7H2
InChIKeyWCJPQLYDHILXPD-UHFFFAOYSA-N
XLogP5.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.07
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-chloro-4-fluoro-N-(2-phenoxyethyl)aniline
CID 107611223
2,6-dichloro-4-nitro-N-(2-phenoxyethyl)aniline
CID 106891512
2-chloro-4,6-difluoro-N-(3-phenoxypropyl)aniline
CID 83088365
2-[2-(4-bromophenoxy)ethylamino]-3,5-dichlorobenzoic acid
CID 18803945
3-chloro-4-fluoro-N-(2-phenoxyethyl)aniline
CID 39365277
3,5-dichloro-6-hydrazinyl-N-(2-phenoxyethyl)pyridin-2-amine
CID 102761875
4-bromo-2,6-dichloro-N-(3-ethoxypropyl)aniline
CID 65175213
4-bromo-2,6-dichloro-N-(3-phenylbutyl)aniline
CID 63425134
2,5-dichloro-4-methyl-N-(2-phenoxyethyl)aniline
CID 104726919
4-bromo-3,5-dimethyl-N-(2-phenoxyethyl)aniline
CID 107573411
3-bromo-5-chloro-N-(3-phenoxypropyl)benzamide
CID 107952345
2-chloro-N-(2-phenoxyethyl)-4-(trifluoromethyl)aniline
CID 63668109

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(2-phenoxyethyl)aniline?
The IUPAC name of 4-bromo-2,6-dichloro-N-(2-phenoxyethyl)aniline (CID 63487856) is 4-bromo-2,6-dichloro-N-(2-phenoxyethyl)aniline.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(2-phenoxyethyl)aniline?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(2-phenoxyethyl)aniline is Clc1cc(Br)cc(Cl)c1NCCOc1ccccc1.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(2-phenoxyethyl)aniline?
The InChIKey is WCJPQLYDHILXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2NO/c15-10-8-12(16)14(13(17)9-10)18-6-7-19-11-4-2-1-3-5-11/h1-5,8-9,18H,6-7H2.
What are the key properties of 4-bromo-2,6-dichloro-N-(2-phenoxyethyl)aniline?
4-bromo-2,6-dichloro-N-(2-phenoxyethyl)aniline has a molecular weight of 361.07 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-(2-phenoxyethyl)aniline is sourced from PubChem (CID 63487856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).