3-[[[3-(3-bromophenoxy)-2-hydroxypropyl]amino]methyl]pentan-3-ol

C15H24BrNO3 — CID 65111894

IUPAC3-[[[3-(3-bromophenoxy)-2-hydroxypropyl]amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCC(O)COc1cccc(Br)c1
InChIInChI=1S/C15H24BrNO3/c1-3-15(19,4-2)11-17-9-13(18)10-20-14-7-5-6-12(16)8-14/h5-8,13,17-19H,3-4,9-11H2,1-2H3
InChIKeyTYRKECWPMGTHAZ-UHFFFAOYSA-N
MW346.27 g/mol
LogP2.33
Rot. Bonds9

About 3-[[[3-(3-bromophenoxy)-2-hydroxypropyl]amino]methyl]pentan-3-ol

3-[[[3-(3-bromophenoxy)-2-hydroxypropyl]amino]methyl]pentan-3-ol (PubChem CID 65111894) has the molecular formula C15H24BrNO3 and a molecular weight of 346.27 g/mol. Its IUPAC name is 3-[[[3-(3-bromophenoxy)-2-hydroxypropyl]amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[[3-(3-bromophenoxy)-2-hydroxypropyl]amino]methyl]pentan-3-ol
PubChem CID65111894
Molecular FormulaC15H24BrNO3
Molecular Weight346.27 g/mol
Exact Mass345.09
IUPAC Name3-[[[3-(3-bromophenoxy)-2-hydroxypropyl]amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCC(O)COc1cccc(Br)c1
InChIInChI=1S/C15H24BrNO3/c1-3-15(19,4-2)11-17-9-13(18)10-20-14-7-5-6-12(16)8-14/h5-8,13,17-19H,3-4,9-11H2,1-2H3
InChIKeyTYRKECWPMGTHAZ-UHFFFAOYSA-N
XLogP2.33
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[[3-(3-bromophenoxy)-2-hydroxypropyl]amino]methyl]pentan-3-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

3-[[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]methyl]pentan-3-ol
CID 65111897
1-(3-bromophenoxy)-3-(octylamino)propan-2-ol
CID 115567734
1-(3-bromophenoxy)-3-(but-2-ynylamino)propan-2-ol
CID 113464617
1-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylbutan-2-ol
CID 65111868
1-(3-bromophenoxy)-3-(3-propan-2-yloxypropylamino)propan-2-ol
CID 4555054
(2R)-1-(3-bromophenoxy)pentan-2-ol
CID 159297241
1-(3-bromophenoxy)-3-[2-(trifluoromethylsulfanyl)ethylamino]propan-2-ol
CID 106429304
1-(3-bromophenoxy)-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol
CID 60729322
1-(3-bromophenoxy)-3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propan-2-ol
CID 115454685
1-(3-bromophenoxy)-3-(2-ethylanilino)propan-2-ol
CID 60900116
1-(3-bromophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 60632931
1-(3-bromophenoxy)-3-[(2-methylpyrazol-3-yl)methylamino]propan-2-ol
CID 63302598

Frequently Asked Questions

What is the IUPAC name of 3-[[[3-(3-bromophenoxy)-2-hydroxypropyl]amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[[3-(3-bromophenoxy)-2-hydroxypropyl]amino]methyl]pentan-3-ol (CID 65111894) is 3-[[[3-(3-bromophenoxy)-2-hydroxypropyl]amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[[3-(3-bromophenoxy)-2-hydroxypropyl]amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[[3-(3-bromophenoxy)-2-hydroxypropyl]amino]methyl]pentan-3-ol is CCC(O)(CC)CNCC(O)COc1cccc(Br)c1.
What is the InChIKey of 3-[[[3-(3-bromophenoxy)-2-hydroxypropyl]amino]methyl]pentan-3-ol?
The InChIKey is TYRKECWPMGTHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO3/c1-3-15(19,4-2)11-17-9-13(18)10-20-14-7-5-6-12(16)8-14/h5-8,13,17-19H,3-4,9-11H2,1-2H3.
What are the key properties of 3-[[[3-(3-bromophenoxy)-2-hydroxypropyl]amino]methyl]pentan-3-ol?
3-[[[3-(3-bromophenoxy)-2-hydroxypropyl]amino]methyl]pentan-3-ol has a molecular weight of 346.27 g/mol, XLogP of 2.33, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[3-(3-bromophenoxy)-2-hydroxypropyl]amino]methyl]pentan-3-ol is sourced from PubChem (CID 65111894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).