1-(5-bromo-2-methoxyanilino)-3-methoxypropan-2-ol

C11H16BrNO3 — CID 63929656

IUPAC1-(5-bromo-2-methoxyanilino)-3-methoxypropan-2-ol
SMILESCOCC(O)CNc1cc(Br)ccc1OC
InChIInChI=1S/C11H16BrNO3/c1-15-7-9(14)6-13-10-5-8(12)3-4-11(10)16-2/h3-5,9,13-14H,6-7H2,1-2H3
InChIKeyKUQNLMSLYTUHGN-UHFFFAOYSA-N
MW290.16 g/mol
LogP1.88
Rot. Bonds6

About 1-(5-bromo-2-methoxyanilino)-3-methoxypropan-2-ol

1-(5-bromo-2-methoxyanilino)-3-methoxypropan-2-ol (PubChem CID 63929656) has the molecular formula C11H16BrNO3 and a molecular weight of 290.16 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyanilino)-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyanilino)-3-methoxypropan-2-ol
PubChem CID63929656
Molecular FormulaC11H16BrNO3
Molecular Weight290.16 g/mol
Exact Mass289.03
IUPAC Name1-(5-bromo-2-methoxyanilino)-3-methoxypropan-2-ol
SMILESCOCC(O)CNc1cc(Br)ccc1OC
InChIInChI=1S/C11H16BrNO3/c1-15-7-9(14)6-13-10-5-8(12)3-4-11(10)16-2/h3-5,9,13-14H,6-7H2,1-2H3
InChIKeyKUQNLMSLYTUHGN-UHFFFAOYSA-N
XLogP1.88
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(2,2-dimethoxyethyl)-2-methoxyaniline
CID 63697779
1-(5-chloro-2-methoxyanilino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989141
1-(4-fluoro-2-methoxyanilino)-3-methoxypropan-2-ol
CID 63929657
1-(5-chloro-2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989140
N'-(5-bromo-2-methoxyphenyl)-N-methylmethanediamine
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3-(5-bromo-2-ethoxyanilino)propane-1,2-diol
CID 168596387
1-(2-ethoxyethoxy)-3-(2-methoxy-5-methylanilino)propan-2-ol
CID 60897925
1-(2-bromo-5-fluoroanilino)-3-methoxypropan-2-ol
CID 107636062
1-(2,5-dibromoanilino)-3-(2-ethoxyethoxy)propan-2-ol
CID 61467302
5-bromo-2-methoxy-N-(3-methylbut-2-enyl)aniline
CID 107899816
1-(5-chloro-2-methoxyanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 60897921
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CID 54953370

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyanilino)-3-methoxypropan-2-ol?
The IUPAC name of 1-(5-bromo-2-methoxyanilino)-3-methoxypropan-2-ol (CID 63929656) is 1-(5-bromo-2-methoxyanilino)-3-methoxypropan-2-ol.
What is the SMILES notation for 1-(5-bromo-2-methoxyanilino)-3-methoxypropan-2-ol?
The canonical SMILES for 1-(5-bromo-2-methoxyanilino)-3-methoxypropan-2-ol is COCC(O)CNc1cc(Br)ccc1OC.
What is the InChIKey of 1-(5-bromo-2-methoxyanilino)-3-methoxypropan-2-ol?
The InChIKey is KUQNLMSLYTUHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3/c1-15-7-9(14)6-13-10-5-8(12)3-4-11(10)16-2/h3-5,9,13-14H,6-7H2,1-2H3.
What are the key properties of 1-(5-bromo-2-methoxyanilino)-3-methoxypropan-2-ol?
1-(5-bromo-2-methoxyanilino)-3-methoxypropan-2-ol has a molecular weight of 290.16 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyanilino)-3-methoxypropan-2-ol is sourced from PubChem (CID 63929656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).