1-(2,5-dibromoanilino)-3-(2-ethoxyethoxy)propan-2-ol

C13H19Br2NO3 — CID 61467302

IUPAC1-(2,5-dibromoanilino)-3-(2-ethoxyethoxy)propan-2-ol
SMILESCCOCCOCC(O)CNc1cc(Br)ccc1Br
InChIInChI=1S/C13H19Br2NO3/c1-2-18-5-6-19-9-11(17)8-16-13-7-10(14)3-4-12(13)15/h3-4,7,11,16-17H,2,5-6,8-9H2,1H3
InChIKeySPPNVCKHAKLTSU-UHFFFAOYSA-N
MW397.11 g/mol
LogP3.04
Rot. Bonds9

About 1-(2,5-dibromoanilino)-3-(2-ethoxyethoxy)propan-2-ol

1-(2,5-dibromoanilino)-3-(2-ethoxyethoxy)propan-2-ol (PubChem CID 61467302) has the molecular formula C13H19Br2NO3 and a molecular weight of 397.11 g/mol. Its IUPAC name is 1-(2,5-dibromoanilino)-3-(2-ethoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2,5-dibromoanilino)-3-(2-ethoxyethoxy)propan-2-ol
PubChem CID61467302
Molecular FormulaC13H19Br2NO3
Molecular Weight397.11 g/mol
Exact Mass394.97
IUPAC Name1-(2,5-dibromoanilino)-3-(2-ethoxyethoxy)propan-2-ol
SMILESCCOCCOCC(O)CNc1cc(Br)ccc1Br
InChIInChI=1S/C13H19Br2NO3/c1-2-18-5-6-19-9-11(17)8-16-13-7-10(14)3-4-12(13)15/h3-4,7,11,16-17H,2,5-6,8-9H2,1H3
InChIKeySPPNVCKHAKLTSU-UHFFFAOYSA-N
XLogP3.04
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.11
LogP ≤ 53.04
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-(2,5-dibromoanilino)butan-2-ol
CID 61467144
1-(3-bromoanilino)-3-(2-ethoxyethoxy)propan-2-ol
CID 60898341
3-(2,5-dibromoanilino)propane-1,2-diol
CID 76904670
1-(2,4-dibromoanilino)-3-(2-methylpropoxy)propan-2-ol
CID 54953370
1-(3-bromo-5-methylanilino)-3-(2-ethoxyethoxy)propan-2-ol
CID 107583006
1-(5-bromo-2-fluoroanilino)-3-hexoxypropan-2-ol
CID 60910056
1-(2-ethoxyethoxy)-3-(2-ethylanilino)propan-2-ol
CID 60900499
1-(2-bromo-5-chloro-4-methylanilino)-3-ethoxypropan-2-ol
CID 113445450
1-(2-ethoxyethoxy)-3-(2-methoxy-5-methylanilino)propan-2-ol
CID 60897925
1-(5-bromo-2-methoxyanilino)-3-methoxypropan-2-ol
CID 63929656
1-(2-bromo-5-fluoroanilino)-3-methoxypropan-2-ol
CID 107636062
1-[1-(3-bromophenyl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol
CID 60746287

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromoanilino)-3-(2-ethoxyethoxy)propan-2-ol?
The IUPAC name of 1-(2,5-dibromoanilino)-3-(2-ethoxyethoxy)propan-2-ol (CID 61467302) is 1-(2,5-dibromoanilino)-3-(2-ethoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-(2,5-dibromoanilino)-3-(2-ethoxyethoxy)propan-2-ol?
The canonical SMILES for 1-(2,5-dibromoanilino)-3-(2-ethoxyethoxy)propan-2-ol is CCOCCOCC(O)CNc1cc(Br)ccc1Br.
What is the InChIKey of 1-(2,5-dibromoanilino)-3-(2-ethoxyethoxy)propan-2-ol?
The InChIKey is SPPNVCKHAKLTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Br2NO3/c1-2-18-5-6-19-9-11(17)8-16-13-7-10(14)3-4-12(13)15/h3-4,7,11,16-17H,2,5-6,8-9H2,1H3.
What are the key properties of 1-(2,5-dibromoanilino)-3-(2-ethoxyethoxy)propan-2-ol?
1-(2,5-dibromoanilino)-3-(2-ethoxyethoxy)propan-2-ol has a molecular weight of 397.11 g/mol, XLogP of 3.04, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromoanilino)-3-(2-ethoxyethoxy)propan-2-ol is sourced from PubChem (CID 61467302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).