1-(2,4-dibromoanilino)-3-(2-methylpropoxy)propan-2-ol

C13H19Br2NO2 — CID 54953370

IUPAC1-(2,4-dibromoanilino)-3-(2-methylpropoxy)propan-2-ol
SMILESCC(C)COCC(O)CNc1ccc(Br)cc1Br
InChIInChI=1S/C13H19Br2NO2/c1-9(2)7-18-8-11(17)6-16-13-4-3-10(14)5-12(13)15/h3-5,9,11,16-17H,6-8H2,1-2H3
InChIKeySUYXLVMRGGVFGD-UHFFFAOYSA-N
MW381.11 g/mol
LogP3.66
Rot. Bonds7

About 1-(2,4-dibromoanilino)-3-(2-methylpropoxy)propan-2-ol

1-(2,4-dibromoanilino)-3-(2-methylpropoxy)propan-2-ol (PubChem CID 54953370) has the molecular formula C13H19Br2NO2 and a molecular weight of 381.11 g/mol. Its IUPAC name is 1-(2,4-dibromoanilino)-3-(2-methylpropoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2,4-dibromoanilino)-3-(2-methylpropoxy)propan-2-ol
PubChem CID54953370
Molecular FormulaC13H19Br2NO2
Molecular Weight381.11 g/mol
Exact Mass378.98
IUPAC Name1-(2,4-dibromoanilino)-3-(2-methylpropoxy)propan-2-ol
SMILESCC(C)COCC(O)CNc1ccc(Br)cc1Br
InChIInChI=1S/C13H19Br2NO2/c1-9(2)7-18-8-11(17)6-16-13-4-3-10(14)5-12(13)15/h3-5,9,11,16-17H,6-8H2,1-2H3
InChIKeySUYXLVMRGGVFGD-UHFFFAOYSA-N
XLogP3.66
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.11
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Amino-2-bromo-5-fluoroanilino)-3-butoxypropan-2-ol
CID 68023989
(2R)-1-(4-amino-2-bromo-5-fluoroanilino)-3-butoxypropan-2-ol
CID 89570378
3-(4-Bromo-2-fluoroanilino)butane-1,2-diol
CID 123369851
(2R,3R)-3-(4-bromo-2-fluoroanilino)butane-1,2-diol
CID 126662243
[(2R)-3-(4-bromo-3-fluoroanilino)-2-hydroxypropyl] butanoate
CID 145042325
[5-bromo-4-[[(2R)-3-butoxy-2-hydroxypropyl]amino]-2-fluorophenyl]azanium
CID 162469137
2-[2-(4-Bromoanilino)-2-(1,4-dioxan-2-yl)ethoxy]ethanol
CID 53387319
N-(2,4-dibromophenyl)-glucosylamine
CID 129661459
N-(3-{2-[2-(3-aminopropoxy)ethoxy]ethoxy}-propyl)-2-bromoaniline
CID 129744162
3-Amino-1-[(2-bromophenyl)amino]propan-2-ol
CID 155267
1-(5-Bromo-2-fluoroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 54938772
1-(5-Bromo-2-fluoroanilino)-3-(2-ethoxyethoxy)propan-2-ol
CID 54938773

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromoanilino)-3-(2-methylpropoxy)propan-2-ol?
The IUPAC name of 1-(2,4-dibromoanilino)-3-(2-methylpropoxy)propan-2-ol (CID 54953370) is 1-(2,4-dibromoanilino)-3-(2-methylpropoxy)propan-2-ol.
What is the SMILES notation for 1-(2,4-dibromoanilino)-3-(2-methylpropoxy)propan-2-ol?
The canonical SMILES for 1-(2,4-dibromoanilino)-3-(2-methylpropoxy)propan-2-ol is CC(C)COCC(O)CNc1ccc(Br)cc1Br.
What is the InChIKey of 1-(2,4-dibromoanilino)-3-(2-methylpropoxy)propan-2-ol?
The InChIKey is SUYXLVMRGGVFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Br2NO2/c1-9(2)7-18-8-11(17)6-16-13-4-3-10(14)5-12(13)15/h3-5,9,11,16-17H,6-8H2,1-2H3.
What are the key properties of 1-(2,4-dibromoanilino)-3-(2-methylpropoxy)propan-2-ol?
1-(2,4-dibromoanilino)-3-(2-methylpropoxy)propan-2-ol has a molecular weight of 381.11 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromoanilino)-3-(2-methylpropoxy)propan-2-ol is sourced from PubChem (CID 54953370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).