1-cyclopentyloxy-3-(2,4,6-tribromoanilino)propan-2-ol

C14H18Br3NO2 — CID 63488175

IUPAC1-cyclopentyloxy-3-(2,4,6-tribromoanilino)propan-2-ol
SMILESOC(CNc1c(Br)cc(Br)cc1Br)COC1CCCC1
InChIInChI=1S/C14H18Br3NO2/c15-9-5-12(16)14(13(17)6-9)18-7-10(19)8-20-11-3-1-2-4-11/h5-6,10-11,18-19H,1-4,7-8H2
InChIKeyIWFUVYJHDBDUCS-UHFFFAOYSA-N
MW472.02 g/mol
LogP4.71
Rot. Bonds6

About 1-cyclopentyloxy-3-(2,4,6-tribromoanilino)propan-2-ol

1-cyclopentyloxy-3-(2,4,6-tribromoanilino)propan-2-ol (PubChem CID 63488175) has the molecular formula C14H18Br3NO2 and a molecular weight of 472.02 g/mol. Its IUPAC name is 1-cyclopentyloxy-3-(2,4,6-tribromoanilino)propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyloxy-3-(2,4,6-tribromoanilino)propan-2-ol
PubChem CID63488175
Molecular FormulaC14H18Br3NO2
Molecular Weight472.02 g/mol
Exact Mass468.89
IUPAC Name1-cyclopentyloxy-3-(2,4,6-tribromoanilino)propan-2-ol
SMILESOC(CNc1c(Br)cc(Br)cc1Br)COC1CCCC1
InChIInChI=1S/C14H18Br3NO2/c15-9-5-12(16)14(13(17)6-9)18-7-10(19)8-20-11-3-1-2-4-11/h5-6,10-11,18-19H,1-4,7-8H2
InChIKeyIWFUVYJHDBDUCS-UHFFFAOYSA-N
XLogP4.71
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.02
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-chloroanilino)-3-cyclopentyloxypropan-2-ol
CID 62913594
1-propan-2-yloxy-3-(2,4,6-tribromoanilino)propan-2-ol
CID 60900042
1-cyclopentyloxy-3-(3-methylanilino)propan-2-ol
CID 60902650
1-(2-chloro-4,6-difluoroanilino)-3-cyclohexyloxypropan-2-ol
CID 83073637
(2S)-3-(2,4,6-tribromoanilino)propane-1,2-diol
CID 61142582
1-cyclohexyloxy-3-(3-iodoanilino)propan-2-ol
CID 60899841
1-(2-chloro-6-methylanilino)-3-cyclohexyloxypropan-2-ol
CID 66251349
1-cyclopentyloxy-3-(2,3-dihydro-1H-inden-5-ylamino)propan-2-ol
CID 60898492
1-cyclopentyloxy-3-(3-fluoroanilino)propan-2-ol
CID 60897752
1-cyclopentyloxy-3-(2,3,4-trifluoroanilino)propan-2-ol
CID 60898837
1-cyclopentyloxy-3-(2-cyclopentyloxyethylamino)propan-2-ol
CID 63827682
1-(1,3-benzodioxol-5-ylamino)-3-cyclopentyloxypropan-2-ol
CID 60900166

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyloxy-3-(2,4,6-tribromoanilino)propan-2-ol?
The IUPAC name of 1-cyclopentyloxy-3-(2,4,6-tribromoanilino)propan-2-ol (CID 63488175) is 1-cyclopentyloxy-3-(2,4,6-tribromoanilino)propan-2-ol.
What is the SMILES notation for 1-cyclopentyloxy-3-(2,4,6-tribromoanilino)propan-2-ol?
The canonical SMILES for 1-cyclopentyloxy-3-(2,4,6-tribromoanilino)propan-2-ol is OC(CNc1c(Br)cc(Br)cc1Br)COC1CCCC1.
What is the InChIKey of 1-cyclopentyloxy-3-(2,4,6-tribromoanilino)propan-2-ol?
The InChIKey is IWFUVYJHDBDUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br3NO2/c15-9-5-12(16)14(13(17)6-9)18-7-10(19)8-20-11-3-1-2-4-11/h5-6,10-11,18-19H,1-4,7-8H2.
What are the key properties of 1-cyclopentyloxy-3-(2,4,6-tribromoanilino)propan-2-ol?
1-cyclopentyloxy-3-(2,4,6-tribromoanilino)propan-2-ol has a molecular weight of 472.02 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyloxy-3-(2,4,6-tribromoanilino)propan-2-ol is sourced from PubChem (CID 63488175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).