1-(5-bromo-2-chloroanilino)-3-cyclopentyloxypropan-2-ol

C14H19BrClNO2 — CID 62913594

IUPAC1-(5-bromo-2-chloroanilino)-3-cyclopentyloxypropan-2-ol
SMILESOC(CNc1cc(Br)ccc1Cl)COC1CCCC1
InChIInChI=1S/C14H19BrClNO2/c15-10-5-6-13(16)14(7-10)17-8-11(18)9-19-12-3-1-2-4-12/h5-7,11-12,17-18H,1-4,8-9H2
InChIKeyIJAOCTLUIVILIT-UHFFFAOYSA-N
MW348.67 g/mol
LogP3.83
Rot. Bonds6

About 1-(5-bromo-2-chloroanilino)-3-cyclopentyloxypropan-2-ol

1-(5-bromo-2-chloroanilino)-3-cyclopentyloxypropan-2-ol (PubChem CID 62913594) has the molecular formula C14H19BrClNO2 and a molecular weight of 348.67 g/mol. Its IUPAC name is 1-(5-bromo-2-chloroanilino)-3-cyclopentyloxypropan-2-ol.

Molecular Properties

Compound Name1-(5-bromo-2-chloroanilino)-3-cyclopentyloxypropan-2-ol
PubChem CID62913594
Molecular FormulaC14H19BrClNO2
Molecular Weight348.67 g/mol
Exact Mass347.03
IUPAC Name1-(5-bromo-2-chloroanilino)-3-cyclopentyloxypropan-2-ol
SMILESOC(CNc1cc(Br)ccc1Cl)COC1CCCC1
InChIInChI=1S/C14H19BrClNO2/c15-10-5-6-13(16)14(7-10)17-8-11(18)9-19-12-3-1-2-4-12/h5-7,11-12,17-18H,1-4,8-9H2
InChIKeyIJAOCTLUIVILIT-UHFFFAOYSA-N
XLogP3.83
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.67
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-5-methylanilino)-3-cyclopentyloxypropan-2-ol
CID 107634536
1-cyclopentyloxy-3-(2,4,6-tribromoanilino)propan-2-ol
CID 63488175
1-(2-chloro-5-methylanilino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 107634648
1-(5-bromo-2-chloroanilino)-3-(4-chlorophenoxy)propan-2-ol
CID 63490723
1-(4-chloro-3-fluoroanilino)-3-cyclohexyloxypropan-2-ol
CID 61466824
1-cyclopentyloxy-3-(2,3,4-trifluoroanilino)propan-2-ol
CID 60898837
1-cyclopentyloxy-3-(2-methylsulfanylanilino)propan-2-ol
CID 107644598
1-(5-bromo-2-chloroanilino)-3-(3-methylphenoxy)propan-2-ol
CID 63492124
1-(2-chloro-4-methylanilino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 60901160
1-cyclopentyloxy-3-(3-methylanilino)propan-2-ol
CID 60902650
1-(2-chloro-6-methylanilino)-3-cyclohexyloxypropan-2-ol
CID 66251349
1-(2-chloro-4,6-difluoroanilino)-3-cyclohexyloxypropan-2-ol
CID 83073637

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chloroanilino)-3-cyclopentyloxypropan-2-ol?
The IUPAC name of 1-(5-bromo-2-chloroanilino)-3-cyclopentyloxypropan-2-ol (CID 62913594) is 1-(5-bromo-2-chloroanilino)-3-cyclopentyloxypropan-2-ol.
What is the SMILES notation for 1-(5-bromo-2-chloroanilino)-3-cyclopentyloxypropan-2-ol?
The canonical SMILES for 1-(5-bromo-2-chloroanilino)-3-cyclopentyloxypropan-2-ol is OC(CNc1cc(Br)ccc1Cl)COC1CCCC1.
What is the InChIKey of 1-(5-bromo-2-chloroanilino)-3-cyclopentyloxypropan-2-ol?
The InChIKey is IJAOCTLUIVILIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO2/c15-10-5-6-13(16)14(7-10)17-8-11(18)9-19-12-3-1-2-4-12/h5-7,11-12,17-18H,1-4,8-9H2.
What are the key properties of 1-(5-bromo-2-chloroanilino)-3-cyclopentyloxypropan-2-ol?
1-(5-bromo-2-chloroanilino)-3-cyclopentyloxypropan-2-ol has a molecular weight of 348.67 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chloroanilino)-3-cyclopentyloxypropan-2-ol is sourced from PubChem (CID 62913594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).