2-[bis(2-hydroxyethyl)amino]-1-(3-bromophenyl)ethanol

C12H18BrNO3 — CID 82216688

IUPAC2-[bis(2-hydroxyethyl)amino]-1-(3-bromophenyl)ethanol
SMILESOCCN(CCO)CC(O)c1cccc(Br)c1
InChIInChI=1S/C12H18BrNO3/c13-11-3-1-2-10(8-11)12(17)9-14(4-6-15)5-7-16/h1-3,8,12,15-17H,4-7,9H2
InChIKeyWJWHDHDOOKMFPA-UHFFFAOYSA-N
MW304.18 g/mol
LogP0.77
Rot. Bonds7

About 2-[bis(2-hydroxyethyl)amino]-1-(3-bromophenyl)ethanol

2-[bis(2-hydroxyethyl)amino]-1-(3-bromophenyl)ethanol (PubChem CID 82216688) has the molecular formula C12H18BrNO3 and a molecular weight of 304.18 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]-1-(3-bromophenyl)ethanol.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]-1-(3-bromophenyl)ethanol
PubChem CID82216688
Molecular FormulaC12H18BrNO3
Molecular Weight304.18 g/mol
Exact Mass303.05
IUPAC Name2-[bis(2-hydroxyethyl)amino]-1-(3-bromophenyl)ethanol
SMILESOCCN(CCO)CC(O)c1cccc(Br)c1
InChIInChI=1S/C12H18BrNO3/c13-11-3-1-2-10(8-11)12(17)9-14(4-6-15)5-7-16/h1-3,8,12,15-17H,4-7,9H2
InChIKeyWJWHDHDOOKMFPA-UHFFFAOYSA-N
XLogP0.77
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromophenyl)-2-(dipropylamino)ethanol
CID 82216690
4-[2-[bis[2-(3-bromophenyl)-2-hydroxyethyl]amino]ethyl]phenol
CID 54261820
(1R)-2-[benzyl(propyl)amino]-1-(3-bromophenyl)ethanol
CID 52535526
2-[bis(2-hydroxyethyl)amino]-1-(3,4-difluorophenyl)ethanol
CID 82217071
2-[2-hydroxyethyl(2-methoxyethyl)amino]-1-(3-methoxyphenyl)ethanol
CID 115629672
1-(3-bromophenyl)-4-methylpentan-1-ol
CID 62608745
1-(3-bromophenyl)-3-[cyclopentyl(2-hydroxyethyl)amino]propan-1-ol
CID 62619701
3-[bis(prop-2-enyl)amino]-1-(3-bromophenyl)propan-1-ol
CID 55098950
1-(3-bromophenyl)butan-1-ol
CID 18417756
1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanol
CID 110885623
3-[bis(2-methoxyethyl)amino]-1-(3-bromophenyl)propan-1-ol
CID 62618326
1-(3-chlorophenyl)-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-1-ol
CID 107487101

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]-1-(3-bromophenyl)ethanol?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]-1-(3-bromophenyl)ethanol (CID 82216688) is 2-[bis(2-hydroxyethyl)amino]-1-(3-bromophenyl)ethanol.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]-1-(3-bromophenyl)ethanol?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]-1-(3-bromophenyl)ethanol is OCCN(CCO)CC(O)c1cccc(Br)c1.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]-1-(3-bromophenyl)ethanol?
The InChIKey is WJWHDHDOOKMFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO3/c13-11-3-1-2-10(8-11)12(17)9-14(4-6-15)5-7-16/h1-3,8,12,15-17H,4-7,9H2.
What are the key properties of 2-[bis(2-hydroxyethyl)amino]-1-(3-bromophenyl)ethanol?
2-[bis(2-hydroxyethyl)amino]-1-(3-bromophenyl)ethanol has a molecular weight of 304.18 g/mol, XLogP of 0.77, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]-1-(3-bromophenyl)ethanol is sourced from PubChem (CID 82216688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).