1-(cyclopropylamino)-3-(2,4-dibromophenoxy)propan-2-ol

C12H15Br2NO2 — CID 64719747

IUPAC1-(cyclopropylamino)-3-(2,4-dibromophenoxy)propan-2-ol
SMILESOC(CNC1CC1)COc1ccc(Br)cc1Br
InChIInChI=1S/C12H15Br2NO2/c13-8-1-4-12(11(14)5-8)17-7-10(16)6-15-9-2-3-9/h1,4-5,9-10,15-16H,2-3,6-7H2
InChIKeyJCQDVPYJXVWEJJ-UHFFFAOYSA-N
MW365.07 g/mol
LogP2.70
Rot. Bonds6

About 1-(cyclopropylamino)-3-(2,4-dibromophenoxy)propan-2-ol

1-(cyclopropylamino)-3-(2,4-dibromophenoxy)propan-2-ol (PubChem CID 64719747) has the molecular formula C12H15Br2NO2 and a molecular weight of 365.07 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(2,4-dibromophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(2,4-dibromophenoxy)propan-2-ol
PubChem CID64719747
Molecular FormulaC12H15Br2NO2
Molecular Weight365.07 g/mol
Exact Mass362.95
IUPAC Name1-(cyclopropylamino)-3-(2,4-dibromophenoxy)propan-2-ol
SMILESOC(CNC1CC1)COc1ccc(Br)cc1Br
InChIInChI=1S/C12H15Br2NO2/c13-8-1-4-12(11(14)5-8)17-7-10(16)6-15-9-2-3-9/h1,4-5,9-10,15-16H,2-3,6-7H2
InChIKeyJCQDVPYJXVWEJJ-UHFFFAOYSA-N
XLogP2.70
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.07
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-4-methylphenoxy)-3-[(4-methylcyclohexyl)amino]propan-2-ol
CID 60633338
1-(cyclopropylamino)-3-(2,5-dibromo-4-methoxyphenoxy)propan-2-ol
CID 79415250
(2R)-1-(2-bromophenoxy)-3-(cyclohexylamino)propan-2-ol
CID 804670
1-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-(cyclopropylamino)propan-2-ol
CID 102714373
1-(4-bromophenoxy)-3-(cyclobutylamino)propan-2-ol
CID 55066785
1-(cyclobutylamino)-3-(2,4-dichlorophenoxy)propan-2-ol
CID 62413983
(2S)-1-(2,4-dibromophenoxy)-3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 51678289
(2S)-1-(2,4-dibromophenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 51678302
1-(2,4-dibromophenoxy)-3-(dimethylamino)propan-2-ol
CID 16877055
(2S)-1-(2,4-dibromophenoxy)-3-(dimethylamino)propan-2-ol
CID 42588460
(2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 7454139
1-(cyclobutylamino)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 62415346

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(2,4-dibromophenoxy)propan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-3-(2,4-dibromophenoxy)propan-2-ol (CID 64719747) is 1-(cyclopropylamino)-3-(2,4-dibromophenoxy)propan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-3-(2,4-dibromophenoxy)propan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-3-(2,4-dibromophenoxy)propan-2-ol is OC(CNC1CC1)COc1ccc(Br)cc1Br.
What is the InChIKey of 1-(cyclopropylamino)-3-(2,4-dibromophenoxy)propan-2-ol?
The InChIKey is JCQDVPYJXVWEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO2/c13-8-1-4-12(11(14)5-8)17-7-10(16)6-15-9-2-3-9/h1,4-5,9-10,15-16H,2-3,6-7H2.
What are the key properties of 1-(cyclopropylamino)-3-(2,4-dibromophenoxy)propan-2-ol?
1-(cyclopropylamino)-3-(2,4-dibromophenoxy)propan-2-ol has a molecular weight of 365.07 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(2,4-dibromophenoxy)propan-2-ol is sourced from PubChem (CID 64719747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).