1-(4-bromophenoxy)-3-[2-methoxyethyl(methyl)amino]propan-2-ol

C13H20BrNO3 — CID 110899766

IUPAC1-(4-bromophenoxy)-3-[2-methoxyethyl(methyl)amino]propan-2-ol
SMILESCOCCN(C)CC(O)COc1ccc(Br)cc1
InChIInChI=1S/C13H20BrNO3/c1-15(7-8-17-2)9-12(16)10-18-13-5-3-11(14)4-6-13/h3-6,12,16H,7-10H2,1-2H3
InChIKeyHYVJKBILHUOHER-UHFFFAOYSA-N
MW318.21 g/mol
LogP1.77
Rot. Bonds8

About 1-(4-bromophenoxy)-3-[2-methoxyethyl(methyl)amino]propan-2-ol

1-(4-bromophenoxy)-3-[2-methoxyethyl(methyl)amino]propan-2-ol (PubChem CID 110899766) has the molecular formula C13H20BrNO3 and a molecular weight of 318.21 g/mol. Its IUPAC name is 1-(4-bromophenoxy)-3-[2-methoxyethyl(methyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-bromophenoxy)-3-[2-methoxyethyl(methyl)amino]propan-2-ol
PubChem CID110899766
Molecular FormulaC13H20BrNO3
Molecular Weight318.21 g/mol
Exact Mass317.06
IUPAC Name1-(4-bromophenoxy)-3-[2-methoxyethyl(methyl)amino]propan-2-ol
SMILESCOCCN(C)CC(O)COc1ccc(Br)cc1
InChIInChI=1S/C13H20BrNO3/c1-15(7-8-17-2)9-12(16)10-18-13-5-3-11(14)4-6-13/h3-6,12,16H,7-10H2,1-2H3
InChIKeyHYVJKBILHUOHER-UHFFFAOYSA-N
XLogP1.77
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2S)-3-[2-(4-bromophenoxy)ethyl-methylamino]-2-hydroxypropoxy]benzonitrile
CID 9166143
1-(4-bromophenoxy)-4-methoxybutan-2-ol
CID 117236778
1-[2-hydroxyethyl(methyl)amino]-3-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]phenoxy]propan-2-ol
CID 3638612
1-(4-bromophenoxy)-3-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]propan-2-ol
CID 111858683
1-(4-bromophenyl)-2-[2-methoxyethyl(methyl)amino]ethanol
CID 110935898
1-[2-(4-aminophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol
CID 54994996
(2R)-1-(4-bromophenoxy)-3-(diethylamino)propan-2-ol
CID 26961688
1-(4-bromophenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol
CID 111107978
(2R)-1-(4-bromophenoxy)-3-(dibutylamino)propan-2-ol
CID 2520136
1-(4-aminophenoxy)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol
CID 81058463
1-[methyl-[2-(4-methylphenoxy)ethyl]amino]-3-(4-phenylphenoxy)propan-2-ol
CID 18278682
N-[2-(4-bromophenoxy)ethyl]-3-methoxy-N-methylpropan-1-amine
CID 60970554

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenoxy)-3-[2-methoxyethyl(methyl)amino]propan-2-ol?
The IUPAC name of 1-(4-bromophenoxy)-3-[2-methoxyethyl(methyl)amino]propan-2-ol (CID 110899766) is 1-(4-bromophenoxy)-3-[2-methoxyethyl(methyl)amino]propan-2-ol.
What is the SMILES notation for 1-(4-bromophenoxy)-3-[2-methoxyethyl(methyl)amino]propan-2-ol?
The canonical SMILES for 1-(4-bromophenoxy)-3-[2-methoxyethyl(methyl)amino]propan-2-ol is COCCN(C)CC(O)COc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenoxy)-3-[2-methoxyethyl(methyl)amino]propan-2-ol?
The InChIKey is HYVJKBILHUOHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO3/c1-15(7-8-17-2)9-12(16)10-18-13-5-3-11(14)4-6-13/h3-6,12,16H,7-10H2,1-2H3.
What are the key properties of 1-(4-bromophenoxy)-3-[2-methoxyethyl(methyl)amino]propan-2-ol?
1-(4-bromophenoxy)-3-[2-methoxyethyl(methyl)amino]propan-2-ol has a molecular weight of 318.21 g/mol, XLogP of 1.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenoxy)-3-[2-methoxyethyl(methyl)amino]propan-2-ol is sourced from PubChem (CID 110899766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).