1-(4-bromophenoxy)-3-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]propan-2-ol

C15H22BrNO3 — CID 111858683

IUPAC1-(4-bromophenoxy)-3-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]propan-2-ol
SMILESCN(CC(O)COc1ccc(Br)cc1)CC(O)C1CC1
InChIInChI=1S/C15H22BrNO3/c1-17(9-15(19)11-2-3-11)8-13(18)10-20-14-6-4-12(16)5-7-14/h4-7,11,13,15,18-19H,2-3,8-10H2,1H3
InChIKeyZYEGDWJMRCICNL-UHFFFAOYSA-N
MW344.25 g/mol
LogP1.89
Rot. Bonds8

About 1-(4-bromophenoxy)-3-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]propan-2-ol

1-(4-bromophenoxy)-3-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]propan-2-ol (PubChem CID 111858683) has the molecular formula C15H22BrNO3 and a molecular weight of 344.25 g/mol. Its IUPAC name is 1-(4-bromophenoxy)-3-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(4-bromophenoxy)-3-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]propan-2-ol
PubChem CID111858683
Molecular FormulaC15H22BrNO3
Molecular Weight344.25 g/mol
Exact Mass343.08
IUPAC Name1-(4-bromophenoxy)-3-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]propan-2-ol
SMILESCN(CC(O)COc1ccc(Br)cc1)CC(O)C1CC1
InChIInChI=1S/C15H22BrNO3/c1-17(9-15(19)11-2-3-11)8-13(18)10-20-14-6-4-12(16)5-7-14/h4-7,11,13,15,18-19H,2-3,8-10H2,1H3
InChIKeyZYEGDWJMRCICNL-UHFFFAOYSA-N
XLogP1.89
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-3-(4-methylphenoxy)propan-2-ol
CID 111858601
1-(4-bromophenoxy)-3-[2-methoxyethyl(methyl)amino]propan-2-ol
CID 110899766
2-[[2-(4-bromophenyl)-2-hydroxyethyl]-methylamino]-1-cyclopropylethanol
CID 111858636
2-(4-bromophenoxy)-1-(1-methylpiperidin-4-yl)ethanol
CID 117238916
(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
4-[(2S)-3-[2-(4-bromophenoxy)ethyl-methylamino]-2-hydroxypropoxy]benzonitrile
CID 9166143
(2R)-1-(4-bromophenoxy)-3-(dibutylamino)propan-2-ol
CID 2520136
1-(4-aminophenoxy)-3-[cyclopropylmethyl(methyl)amino]propan-2-ol
CID 54884486
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-[[(1R)-1-cyclopentylethyl]amino]propan-2-ol
CID 81395650
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-1-cyclopropylethanol
CID 111858724

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenoxy)-3-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]propan-2-ol?
The IUPAC name of 1-(4-bromophenoxy)-3-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]propan-2-ol (CID 111858683) is 1-(4-bromophenoxy)-3-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]propan-2-ol.
What is the SMILES notation for 1-(4-bromophenoxy)-3-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]propan-2-ol?
The canonical SMILES for 1-(4-bromophenoxy)-3-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]propan-2-ol is CN(CC(O)COc1ccc(Br)cc1)CC(O)C1CC1.
What is the InChIKey of 1-(4-bromophenoxy)-3-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]propan-2-ol?
The InChIKey is ZYEGDWJMRCICNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO3/c1-17(9-15(19)11-2-3-11)8-13(18)10-20-14-6-4-12(16)5-7-14/h4-7,11,13,15,18-19H,2-3,8-10H2,1H3.
What are the key properties of 1-(4-bromophenoxy)-3-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]propan-2-ol?
1-(4-bromophenoxy)-3-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]propan-2-ol has a molecular weight of 344.25 g/mol, XLogP of 1.89, 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-cyclopropyl-2-hydroxyethyl)-methylamino]propan-2-ol is sourced from PubChem (CID 111858683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).