3-(3-bromo-2-methylanilino)propane-1,2-diol

C10H14BrNO2 — CID 107633538

IUPAC3-(3-bromo-2-methylanilino)propane-1,2-diol
SMILESCc1c(Br)cccc1NCC(O)CO
InChIInChI=1S/C10H14BrNO2/c1-7-9(11)3-2-4-10(7)12-5-8(14)6-13/h2-4,8,12-14H,5-6H2,1H3
InChIKeyCVKRGVQPMWEBSB-UHFFFAOYSA-N
MW260.13 g/mol
LogP1.52
Rot. Bonds4

About 3-(3-bromo-2-methylanilino)propane-1,2-diol

3-(3-bromo-2-methylanilino)propane-1,2-diol (PubChem CID 107633538) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 3-(3-bromo-2-methylanilino)propane-1,2-diol.

Molecular Properties

Compound Name3-(3-bromo-2-methylanilino)propane-1,2-diol
PubChem CID107633538
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name3-(3-bromo-2-methylanilino)propane-1,2-diol
SMILESCc1c(Br)cccc1NCC(O)CO
InChIInChI=1S/C10H14BrNO2/c1-7-9(11)3-2-4-10(7)12-5-8(14)6-13/h2-4,8,12-14H,5-6H2,1H3
InChIKeyCVKRGVQPMWEBSB-UHFFFAOYSA-N
XLogP1.52
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2,3-dihydroxypropylamino)-2-methylphenyl]boronic acid
CID 168597479
3-(4-bromo-2-chloro-3-methylanilino)propane-1,2-diol
CID 168596172
3-(2,4-dibromo-5-methylanilino)propane-1,2-diol
CID 168596416
1-(3-bromo-2-methylanilino)-3-pyrazol-1-ylpropan-2-ol
CID 107633847
3-(4-bromo-2-methoxy-3-methylanilino)propane-1,2-diol
CID 168597062
1-(3-bromo-2-methylanilino)-3-(4-fluorophenoxy)propan-2-ol
CID 107633833
2-(3-bromo-2-methylanilino)-1-thiophen-2-ylethanol
CID 107633618
N-[2-(2,3-dihydroxypropylamino)phenyl]acetamide
CID 168596792
3-(4-bromo-2,5-dimethylanilino)propane-1,2-diol
CID 168596082
2-(3-bromo-2-methylanilino)-1-(3,4-difluorophenyl)ethanol
CID 107633844
3-(naphthalen-1-ylamino)propane-1,2-diol
CID 3017963
2-(3-bromo-2-methylanilino)-1-(2,5-dichlorophenyl)ethanol
CID 107634052

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2-methylanilino)propane-1,2-diol?
The IUPAC name of 3-(3-bromo-2-methylanilino)propane-1,2-diol (CID 107633538) is 3-(3-bromo-2-methylanilino)propane-1,2-diol.
What is the SMILES notation for 3-(3-bromo-2-methylanilino)propane-1,2-diol?
The canonical SMILES for 3-(3-bromo-2-methylanilino)propane-1,2-diol is Cc1c(Br)cccc1NCC(O)CO.
What is the InChIKey of 3-(3-bromo-2-methylanilino)propane-1,2-diol?
The InChIKey is CVKRGVQPMWEBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-7-9(11)3-2-4-10(7)12-5-8(14)6-13/h2-4,8,12-14H,5-6H2,1H3.
What are the key properties of 3-(3-bromo-2-methylanilino)propane-1,2-diol?
3-(3-bromo-2-methylanilino)propane-1,2-diol has a molecular weight of 260.13 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2-methylanilino)propane-1,2-diol is sourced from PubChem (CID 107633538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).