1-(4-bromophenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol

C15H24BrNO3 — CID 111107978

IUPAC1-(4-bromophenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol
SMILESCC(O)CN(CC(O)COc1ccc(Br)cc1)C(C)C
InChIInChI=1S/C15H24BrNO3/c1-11(2)17(8-12(3)18)9-14(19)10-20-15-6-4-13(16)5-7-15/h4-7,11-12,14,18-19H,8-10H2,1-3H3
InChIKeyGKTXYHUTZGBAIV-UHFFFAOYSA-N
MW346.27 g/mol
LogP2.28
Rot. Bonds8

About 1-(4-bromophenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol

1-(4-bromophenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol (PubChem CID 111107978) has the molecular formula C15H24BrNO3 and a molecular weight of 346.27 g/mol. Its IUPAC name is 1-(4-bromophenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-bromophenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol
PubChem CID111107978
Molecular FormulaC15H24BrNO3
Molecular Weight346.27 g/mol
Exact Mass345.09
IUPAC Name1-(4-bromophenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol
SMILESCC(O)CN(CC(O)COc1ccc(Br)cc1)C(C)C
InChIInChI=1S/C15H24BrNO3/c1-11(2)17(8-12(3)18)9-14(19)10-20-15-6-4-13(16)5-7-15/h4-7,11-12,14,18-19H,8-10H2,1-3H3
InChIKeyGKTXYHUTZGBAIV-UHFFFAOYSA-N
XLogP2.28
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(4-bromophenoxy)-3-(diethylamino)propan-2-ol
CID 26961688
1-(4-bromophenoxy)-3-[2-methoxyethyl(methyl)amino]propan-2-ol
CID 110899766
(2R)-1-(4-bromophenoxy)-3-(dibutylamino)propan-2-ol
CID 2520136
1-(4-bromophenoxy)-3-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]propan-2-ol
CID 111858683
1-(2,6-dichlorophenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol
CID 111107927
4-bromo-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-N-methylbenzamide
CID 3737830
1-(2,4-dimethylphenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol
CID 111107864
1-(4-bromophenoxy)-3-(propan-2-ylamino)propan-2-ol chloride
CID 46863817
4-[(2S)-3-[2-(4-bromophenoxy)ethyl-methylamino]-2-hydroxypropoxy]benzonitrile
CID 9166143
1-(4-bromophenoxy)-4-methoxybutan-2-ol
CID 117236778
4-bromo-N-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N-methylbenzamide
CID 7318127
4-(4-bromophenoxy)butan-2-ol
CID 112686550

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol?
The IUPAC name of 1-(4-bromophenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol (CID 111107978) is 1-(4-bromophenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(4-bromophenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol?
The canonical SMILES for 1-(4-bromophenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol is CC(O)CN(CC(O)COc1ccc(Br)cc1)C(C)C.
What is the InChIKey of 1-(4-bromophenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol?
The InChIKey is GKTXYHUTZGBAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO3/c1-11(2)17(8-12(3)18)9-14(19)10-20-15-6-4-13(16)5-7-15/h4-7,11-12,14,18-19H,8-10H2,1-3H3.
What are the key properties of 1-(4-bromophenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol?
1-(4-bromophenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol has a molecular weight of 346.27 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 111107978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).