1-(cyclopropylamino)-3-(2,5-dibromo-4-methoxyphenoxy)propan-2-ol

C13H17Br2NO3 — CID 79415250

IUPAC1-(cyclopropylamino)-3-(2,5-dibromo-4-methoxyphenoxy)propan-2-ol
SMILESCOc1cc(Br)c(OCC(O)CNC2CC2)cc1Br
InChIInChI=1S/C13H17Br2NO3/c1-18-12-4-11(15)13(5-10(12)14)19-7-9(17)6-16-8-2-3-8/h4-5,8-9,16-17H,2-3,6-7H2,1H3
InChIKeyGBZLTMIGSNEVFT-UHFFFAOYSA-N
MW395.09 g/mol
LogP2.71
Rot. Bonds7

About 1-(cyclopropylamino)-3-(2,5-dibromo-4-methoxyphenoxy)propan-2-ol

1-(cyclopropylamino)-3-(2,5-dibromo-4-methoxyphenoxy)propan-2-ol (PubChem CID 79415250) has the molecular formula C13H17Br2NO3 and a molecular weight of 395.09 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(2,5-dibromo-4-methoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(2,5-dibromo-4-methoxyphenoxy)propan-2-ol
PubChem CID79415250
Molecular FormulaC13H17Br2NO3
Molecular Weight395.09 g/mol
Exact Mass392.96
IUPAC Name1-(cyclopropylamino)-3-(2,5-dibromo-4-methoxyphenoxy)propan-2-ol
SMILESCOc1cc(Br)c(OCC(O)CNC2CC2)cc1Br
InChIInChI=1S/C13H17Br2NO3/c1-18-12-4-11(15)13(5-10(12)14)19-7-9(17)6-16-8-2-3-8/h4-5,8-9,16-17H,2-3,6-7H2,1H3
InChIKeyGBZLTMIGSNEVFT-UHFFFAOYSA-N
XLogP2.71
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.09
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(cyclopropylamino)-3-(2,5-dibromo-4-methoxyphenoxy)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cyclopropylamino)-3-(2,4-dibromophenoxy)propan-2-ol
CID 64719747
1-(2-bromo-4-methylphenoxy)-3-[(4-methylcyclohexyl)amino]propan-2-ol
CID 60633338
1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 62414951
1-(cyclopentylamino)-3-(3,4,5-trimethoxyphenoxy)propan-2-ol
CID 110181265
1-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-(cyclopropylamino)propan-2-ol
CID 102714373
(2R)-1-(2-bromophenoxy)-3-(cyclohexylamino)propan-2-ol
CID 804670
N-[2-[(2,5-dibromo-4-methoxyphenoxy)methyl]prop-2-enyl]cyclopropanamine
CID 103067342
1-(cyclopropylamino)-3-methoxypropan-2-ol
CID 21034992
1-(cyclopropylamino)-3-(4-methoxy-3-nitrophenoxy)propan-2-ol
CID 103201565
1-(cyclobutylamino)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 62415346
1-(2-methoxyphenoxy)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol
CID 14751044
1-(2-methoxyphenoxy)-3-(oxan-3-ylamino)propan-2-ol
CID 63364012

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(2,5-dibromo-4-methoxyphenoxy)propan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-3-(2,5-dibromo-4-methoxyphenoxy)propan-2-ol (CID 79415250) is 1-(cyclopropylamino)-3-(2,5-dibromo-4-methoxyphenoxy)propan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-3-(2,5-dibromo-4-methoxyphenoxy)propan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-3-(2,5-dibromo-4-methoxyphenoxy)propan-2-ol is COc1cc(Br)c(OCC(O)CNC2CC2)cc1Br.
What is the InChIKey of 1-(cyclopropylamino)-3-(2,5-dibromo-4-methoxyphenoxy)propan-2-ol?
The InChIKey is GBZLTMIGSNEVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br2NO3/c1-18-12-4-11(15)13(5-10(12)14)19-7-9(17)6-16-8-2-3-8/h4-5,8-9,16-17H,2-3,6-7H2,1H3.
What are the key properties of 1-(cyclopropylamino)-3-(2,5-dibromo-4-methoxyphenoxy)propan-2-ol?
1-(cyclopropylamino)-3-(2,5-dibromo-4-methoxyphenoxy)propan-2-ol has a molecular weight of 395.09 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(2,5-dibromo-4-methoxyphenoxy)propan-2-ol is sourced from PubChem (CID 79415250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).