1-(2-bromo-3-chloroanilino)-3-(2-methoxyethoxy)propan-2-ol

C12H17BrClNO3 — CID 106990645

IUPAC1-(2-bromo-3-chloroanilino)-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CNc1cccc(Cl)c1Br
InChIInChI=1S/C12H17BrClNO3/c1-17-5-6-18-8-9(16)7-15-11-4-2-3-10(14)12(11)13/h2-4,9,15-16H,5-8H2,1H3
InChIKeyANEOTZOWANBYHS-UHFFFAOYSA-N
MW338.63 g/mol
LogP2.54
Rot. Bonds8

About 1-(2-bromo-3-chloroanilino)-3-(2-methoxyethoxy)propan-2-ol

1-(2-bromo-3-chloroanilino)-3-(2-methoxyethoxy)propan-2-ol (PubChem CID 106990645) has the molecular formula C12H17BrClNO3 and a molecular weight of 338.63 g/mol. Its IUPAC name is 1-(2-bromo-3-chloroanilino)-3-(2-methoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-3-chloroanilino)-3-(2-methoxyethoxy)propan-2-ol
PubChem CID106990645
Molecular FormulaC12H17BrClNO3
Molecular Weight338.63 g/mol
Exact Mass337.01
IUPAC Name1-(2-bromo-3-chloroanilino)-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CNc1cccc(Cl)c1Br
InChIInChI=1S/C12H17BrClNO3/c1-17-5-6-18-8-9(16)7-15-11-4-2-3-10(14)12(11)13/h2-4,9,15-16H,5-8H2,1H3
InChIKeyANEOTZOWANBYHS-UHFFFAOYSA-N
XLogP2.54
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.63
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloroanilino)-3-methoxypropan-2-ol
CID 63929228
1-(2-methoxyethoxy)-3-(2-propylanilino)propan-2-ol
CID 106989673
1-(2-butoxyethoxy)-3-(2,3-dichloroanilino)propan-2-ol
CID 60899614
1-(2-methoxyethoxy)-3-[2-(trifluoromethyl)anilino]propan-2-ol
CID 106989058
1-(5-chloro-2-methoxyanilino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989141
1-butoxy-3-[2-[(3-butoxy-2-hydroxypropyl)amino]anilino]propan-2-ol
CID 155231393
1-(3-methoxyanilino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989238
2-(2-bromo-3-chloroanilino)-N-(3-methoxypropyl)acetamide
CID 103478891
methyl 3-(2-bromo-3-chloroanilino)propanoate
CID 103479005
1-(2-chlorophenoxy)-3-(2-methoxyanilino)propan-2-ol
CID 60898981
1-butoxy-3-[2-(2-methoxyethyl)anilino]propan-2-ol
CID 107263153
N'-(2-bromo-3-chlorophenyl)-2-methylpropane-1,3-diamine
CID 130604497

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-chloroanilino)-3-(2-methoxyethoxy)propan-2-ol?
The IUPAC name of 1-(2-bromo-3-chloroanilino)-3-(2-methoxyethoxy)propan-2-ol (CID 106990645) is 1-(2-bromo-3-chloroanilino)-3-(2-methoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-(2-bromo-3-chloroanilino)-3-(2-methoxyethoxy)propan-2-ol?
The canonical SMILES for 1-(2-bromo-3-chloroanilino)-3-(2-methoxyethoxy)propan-2-ol is COCCOCC(O)CNc1cccc(Cl)c1Br.
What is the InChIKey of 1-(2-bromo-3-chloroanilino)-3-(2-methoxyethoxy)propan-2-ol?
The InChIKey is ANEOTZOWANBYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrClNO3/c1-17-5-6-18-8-9(16)7-15-11-4-2-3-10(14)12(11)13/h2-4,9,15-16H,5-8H2,1H3.
What are the key properties of 1-(2-bromo-3-chloroanilino)-3-(2-methoxyethoxy)propan-2-ol?
1-(2-bromo-3-chloroanilino)-3-(2-methoxyethoxy)propan-2-ol has a molecular weight of 338.63 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-chloroanilino)-3-(2-methoxyethoxy)propan-2-ol is sourced from PubChem (CID 106990645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).