4-bromo-2,6-dichloro-N-(3-ethoxypropyl)aniline

C11H14BrCl2NO — CID 65175213

IUPAC4-bromo-2,6-dichloro-N-(3-ethoxypropyl)aniline
SMILESCCOCCCNc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C11H14BrCl2NO/c1-2-16-5-3-4-15-11-9(13)6-8(12)7-10(11)14/h6-7,15H,2-5H2,1H3
InChIKeySDGABRKKIZYFLY-UHFFFAOYSA-N
MW327.05 g/mol
LogP4.59
Rot. Bonds6

About 4-bromo-2,6-dichloro-N-(3-ethoxypropyl)aniline

4-bromo-2,6-dichloro-N-(3-ethoxypropyl)aniline (PubChem CID 65175213) has the molecular formula C11H14BrCl2NO and a molecular weight of 327.05 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(3-ethoxypropyl)aniline.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(3-ethoxypropyl)aniline
PubChem CID65175213
Molecular FormulaC11H14BrCl2NO
Molecular Weight327.05 g/mol
Exact Mass324.96
IUPAC Name4-bromo-2,6-dichloro-N-(3-ethoxypropyl)aniline
SMILESCCOCCCNc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C11H14BrCl2NO/c1-2-16-5-3-4-15-11-9(13)6-8(12)7-10(11)14/h6-7,15H,2-5H2,1H3
InChIKeySDGABRKKIZYFLY-UHFFFAOYSA-N
XLogP4.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.05
LogP ≤ 54.59
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

4-bromo-2,6-dichloro-N-pentylaniline
CID 28992958
4-bromo-2,6-dichloro-N-(4-methylsulfanylbutyl)aniline
CID 103087339
4-bromo-N-(3-ethoxypropyl)aniline
CID 65176368
4-bromo-2,6-dichloro-N-(4,4,4-trifluorobutyl)aniline
CID 113326312
4-bromo-2,6-dichloro-N-(2-phenoxyethyl)aniline
CID 63487856
4-bromo-N-(3-ethoxypropyl)-3,5-dimethylaniline
CID 107573608
N-[(5-bromo-2-chlorophenyl)methyl]-3-ethoxypropan-1-amine
CID 115731964
3,5-dichloro-6-N-(3-ethoxypropyl)-2-N-methylpyridine-2,6-diamine
CID 102755734
4-(4-bromo-2,6-dichloroanilino)-2-methylbutan-2-ol
CID 79361423
2-chloro-N-(3-ethoxypropyl)-4-fluoroaniline
CID 65175214
4-ethoxy-N-[2-(2,4,6-tribromophenoxy)ethyl]butan-1-amine
CID 62572377
2-chloro-N-(3-ethoxypropyl)-4-iodoaniline
CID 107606523

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(3-ethoxypropyl)aniline?
The IUPAC name of 4-bromo-2,6-dichloro-N-(3-ethoxypropyl)aniline (CID 65175213) is 4-bromo-2,6-dichloro-N-(3-ethoxypropyl)aniline.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(3-ethoxypropyl)aniline?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(3-ethoxypropyl)aniline is CCOCCCNc1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(3-ethoxypropyl)aniline?
The InChIKey is SDGABRKKIZYFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrCl2NO/c1-2-16-5-3-4-15-11-9(13)6-8(12)7-10(11)14/h6-7,15H,2-5H2,1H3.
What are the key properties of 4-bromo-2,6-dichloro-N-(3-ethoxypropyl)aniline?
4-bromo-2,6-dichloro-N-(3-ethoxypropyl)aniline has a molecular weight of 327.05 g/mol, XLogP of 4.59, 6 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-(3-ethoxypropyl)aniline is sourced from PubChem (CID 65175213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).