1-(2-bromo-4-chloroanilino)-3-phenoxypropan-2-ol

C15H15BrClNO2 — CID 81270786

IUPAC1-(2-bromo-4-chloroanilino)-3-phenoxypropan-2-ol
SMILESOC(CNc1ccc(Cl)cc1Br)COc1ccccc1
InChIInChI=1S/C15H15BrClNO2/c16-14-8-11(17)6-7-15(14)18-9-12(19)10-20-13-4-2-1-3-5-13/h1-8,12,18-19H,9-10H2
InChIKeyAKFJCKDFVZPAEG-UHFFFAOYSA-N
MW356.65 g/mol
LogP3.95
Rot. Bonds6

About 1-(2-bromo-4-chloroanilino)-3-phenoxypropan-2-ol

1-(2-bromo-4-chloroanilino)-3-phenoxypropan-2-ol (PubChem CID 81270786) has the molecular formula C15H15BrClNO2 and a molecular weight of 356.65 g/mol. Its IUPAC name is 1-(2-bromo-4-chloroanilino)-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-4-chloroanilino)-3-phenoxypropan-2-ol
PubChem CID81270786
Molecular FormulaC15H15BrClNO2
Molecular Weight356.65 g/mol
Exact Mass355.00
IUPAC Name1-(2-bromo-4-chloroanilino)-3-phenoxypropan-2-ol
SMILESOC(CNc1ccc(Cl)cc1Br)COc1ccccc1
InChIInChI=1S/C15H15BrClNO2/c16-14-8-11(17)6-7-15(14)18-9-12(19)10-20-13-4-2-1-3-5-13/h1-8,12,18-19H,9-10H2
InChIKeyAKFJCKDFVZPAEG-UHFFFAOYSA-N
XLogP3.95
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.65
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-4-chloroanilino)-3-(3-bromophenoxy)propan-2-ol
CID 81268684
1-(2-bromo-4-chloroanilino)-3-phenylmethoxypropan-2-ol
CID 81270209
1-(2-bromo-4-chloroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 81271117
1-(2-bromo-4-chloroanilino)-3-chloropropan-2-ol
CID 168640629
1-(2-bromo-5-chloroanilino)-3-(3-methylphenoxy)propan-2-ol
CID 81280088
1-(4-bromophenoxy)-3-(5-chloro-2-fluoroanilino)propan-2-ol
CID 60909858
1-(2,5-difluoroanilino)-3-phenoxypropan-2-ol
CID 60897880
1-(4-bromophenoxy)-3-(5-chloro-2-methylanilino)propan-2-ol
CID 63488071
1-(5-bromo-2-methylanilino)-3-phenoxypropan-2-ol
CID 60910317
1-(5-bromo-2-chloroanilino)-3-(4-chlorophenoxy)propan-2-ol
CID 63490723
1-(2-bromo-5-chloroanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 81280813
1-(2-chloro-4-iodoanilino)-3-(4-chlorophenoxy)propan-2-ol
CID 107606298

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chloroanilino)-3-phenoxypropan-2-ol?
The IUPAC name of 1-(2-bromo-4-chloroanilino)-3-phenoxypropan-2-ol (CID 81270786) is 1-(2-bromo-4-chloroanilino)-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-(2-bromo-4-chloroanilino)-3-phenoxypropan-2-ol?
The canonical SMILES for 1-(2-bromo-4-chloroanilino)-3-phenoxypropan-2-ol is OC(CNc1ccc(Cl)cc1Br)COc1ccccc1.
What is the InChIKey of 1-(2-bromo-4-chloroanilino)-3-phenoxypropan-2-ol?
The InChIKey is AKFJCKDFVZPAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO2/c16-14-8-11(17)6-7-15(14)18-9-12(19)10-20-13-4-2-1-3-5-13/h1-8,12,18-19H,9-10H2.
What are the key properties of 1-(2-bromo-4-chloroanilino)-3-phenoxypropan-2-ol?
1-(2-bromo-4-chloroanilino)-3-phenoxypropan-2-ol has a molecular weight of 356.65 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chloroanilino)-3-phenoxypropan-2-ol is sourced from PubChem (CID 81270786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).