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

C13H20BrNO3 — CID 111103190

IUPAC1-(4-bromophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol
SMILESCOCCN(CCO)CC(O)c1ccc(Br)cc1
InChIInChI=1S/C13H20BrNO3/c1-18-9-7-15(6-8-16)10-13(17)11-2-4-12(14)5-3-11/h2-5,13,16-17H,6-10H2,1H3
InChIKeyDQZIEFDMAIPEPK-UHFFFAOYSA-N
MW318.21 g/mol
LogP1.42
Rot. Bonds8

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

1-(4-bromophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol (PubChem CID 111103190) has the molecular formula C13H20BrNO3 and a molecular weight of 318.21 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol
PubChem CID111103190
Molecular FormulaC13H20BrNO3
Molecular Weight318.21 g/mol
Exact Mass317.06
IUPAC Name1-(4-bromophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol
SMILESCOCCN(CCO)CC(O)c1ccc(Br)cc1
InChIInChI=1S/C13H20BrNO3/c1-18-9-7-15(6-8-16)10-13(17)11-2-4-12(14)5-3-11/h2-5,13,16-17H,6-10H2,1H3
InChIKeyDQZIEFDMAIPEPK-UHFFFAOYSA-N
XLogP1.42
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-2-[2,2-difluoroethyl(2-methoxyethyl)amino]ethanol
CID 110936012
1-(4-bromophenyl)-2-[2-methoxyethyl(methyl)amino]ethanol
CID 110935898
2-[bis(2-methoxyethyl)amino]-1-(4-methoxyphenyl)ethanol
CID 60980971
2-[2-hydroxyethyl(2-methoxyethyl)amino]-1-(3-methoxyphenyl)ethanol
CID 115629672
1-(2,6-difluorophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol
CID 111103219
(1R)-1-(4-bromophenyl)-2-methoxyethanol
CID 14940709
1-(2-fluorophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol
CID 111103240
1-(4-aminophenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanol
CID 62265758
1-(3-amino-4-methylphenyl)-2-[bis(2-methoxyethyl)amino]ethanol
CID 82071614
1-(4-bromophenyl)-3-[butan-2-yl(2-methoxyethyl)amino]propan-1-ol
CID 62617478
2-[bis(2-hydroxyethyl)amino]-1-(3-bromophenyl)ethanol
CID 82216688
methyl 3-[(2-hydroxy-2-phenylethyl)-(2-methoxyethyl)amino]propanoate
CID 78959230

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol?
The IUPAC name of 1-(4-bromophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol (CID 111103190) is 1-(4-bromophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol.
What is the SMILES notation for 1-(4-bromophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol?
The canonical SMILES for 1-(4-bromophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol is COCCN(CCO)CC(O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol?
The InChIKey is DQZIEFDMAIPEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO3/c1-18-9-7-15(6-8-16)10-13(17)11-2-4-12(14)5-3-11/h2-5,13,16-17H,6-10H2,1H3.
What are the key properties of 1-(4-bromophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol?
1-(4-bromophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol has a molecular weight of 318.21 g/mol, XLogP of 1.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol is sourced from PubChem (CID 111103190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).