1-(4-bromophenyl)-2-[2-methoxyethyl(methyl)amino]ethanol

C12H18BrNO2 — CID 110935898

IUPAC1-(4-bromophenyl)-2-[2-methoxyethyl(methyl)amino]ethanol
SMILESCOCCN(C)CC(O)c1ccc(Br)cc1
InChIInChI=1S/C12H18BrNO2/c1-14(7-8-16-2)9-12(15)10-3-5-11(13)6-4-10/h3-6,12,15H,7-9H2,1-2H3
InChIKeyVADCZCVMBUTBLJ-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.06
Rot. Bonds6

About 1-(4-bromophenyl)-2-[2-methoxyethyl(methyl)amino]ethanol

1-(4-bromophenyl)-2-[2-methoxyethyl(methyl)amino]ethanol (PubChem CID 110935898) has the molecular formula C12H18BrNO2 and a molecular weight of 288.19 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-[2-methoxyethyl(methyl)amino]ethanol.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-[2-methoxyethyl(methyl)amino]ethanol
PubChem CID110935898
Molecular FormulaC12H18BrNO2
Molecular Weight288.19 g/mol
Exact Mass287.05
IUPAC Name1-(4-bromophenyl)-2-[2-methoxyethyl(methyl)amino]ethanol
SMILESCOCCN(C)CC(O)c1ccc(Br)cc1
InChIInChI=1S/C12H18BrNO2/c1-14(7-8-16-2)9-12(15)10-3-5-11(13)6-4-10/h3-6,12,15H,7-9H2,1-2H3
InChIKeyVADCZCVMBUTBLJ-UHFFFAOYSA-N
XLogP2.06
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol
CID 111103190
1-(4-bromophenyl)-2-[2,2-difluoroethyl(2-methoxyethyl)amino]ethanol
CID 110936012
4-[1-hydroxy-2-[2-methoxyethyl(methyl)amino]ethyl]benzenecarbothioamide
CID 61427205
1-(4-bromophenoxy)-3-[2-methoxyethyl(methyl)amino]propan-2-ol
CID 110899766
1-(4-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanol
CID 110908142
(1R)-1-(4-bromophenyl)-2-methoxyethanol
CID 14940709
1-(4-bromophenyl)-3-[butan-2-yl(2-methoxyethyl)amino]propan-1-ol
CID 62617478
2-[[2-(4-bromophenyl)-2-hydroxyethyl]-methylamino]-1-cyclopropylethanol
CID 111858636
2-[bis(2-methoxyethyl)amino]-1-(4-methoxyphenyl)ethanol
CID 60980971
(2S)-1-[[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-3-methoxypropan-2-ol
CID 100857627
methyl (2S)-2-(4-bromophenyl)-2-[2-methoxyethyl(methyl)amino]acetate
CID 95980534
1-[2-[[2-(4-bromophenyl)-2-hydroxyethyl]-methylamino]ethyl]pyrrolidin-2-one
CID 111121937

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-[2-methoxyethyl(methyl)amino]ethanol?
The IUPAC name of 1-(4-bromophenyl)-2-[2-methoxyethyl(methyl)amino]ethanol (CID 110935898) is 1-(4-bromophenyl)-2-[2-methoxyethyl(methyl)amino]ethanol.
What is the SMILES notation for 1-(4-bromophenyl)-2-[2-methoxyethyl(methyl)amino]ethanol?
The canonical SMILES for 1-(4-bromophenyl)-2-[2-methoxyethyl(methyl)amino]ethanol is COCCN(C)CC(O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-[2-methoxyethyl(methyl)amino]ethanol?
The InChIKey is VADCZCVMBUTBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2/c1-14(7-8-16-2)9-12(15)10-3-5-11(13)6-4-10/h3-6,12,15H,7-9H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-2-[2-methoxyethyl(methyl)amino]ethanol?
1-(4-bromophenyl)-2-[2-methoxyethyl(methyl)amino]ethanol has a molecular weight of 288.19 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-[2-methoxyethyl(methyl)amino]ethanol is sourced from PubChem (CID 110935898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).