2-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl-methylamino]ethanol

C16H17BrClNO — CID 156560186

IUPAC2-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl-methylamino]ethanol
SMILESCN(CCO)Cc1ccc(-c2cccc(Br)c2Cl)cc1
InChIInChI=1S/C16H17BrClNO/c1-19(9-10-20)11-12-5-7-13(8-6-12)14-3-2-4-15(17)16(14)18/h2-8,20H,9-11H2,1H3
InChIKeyNRVYKSTYPVQYFV-UHFFFAOYSA-N
MW354.68 g/mol
LogP4.19
Rot. Bonds5

About 2-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl-methylamino]ethanol

2-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl-methylamino]ethanol (PubChem CID 156560186) has the molecular formula C16H17BrClNO and a molecular weight of 354.68 g/mol. Its IUPAC name is 2-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl-methylamino]ethanol
PubChem CID156560186
Molecular FormulaC16H17BrClNO
Molecular Weight354.68 g/mol
Exact Mass353.02
IUPAC Name2-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl-methylamino]ethanol
SMILESCN(CCO)Cc1ccc(-c2cccc(Br)c2Cl)cc1
InChIInChI=1S/C16H17BrClNO/c1-19(9-10-20)11-12-5-7-13(8-6-12)14-3-2-4-15(17)16(14)18/h2-8,20H,9-11H2,1H3
InChIKeyNRVYKSTYPVQYFV-UHFFFAOYSA-N
XLogP4.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.68
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[[3-[(E)-2-(3-bromo-2-chlorophenyl)ethenyl]-4-(trifluoromethyl)phenyl]methyl]-N-(2-hydroxyethyl)carbamate
CID 162497174
2-[(5-Bromo-2-fluorophenyl)methyl-[(2-chlorophenyl)methyl]amino]ethanol
CID 56482405
2-[(5-Bromo-2-fluorophenyl)methyl-[(3-chlorophenyl)methyl]amino]ethanol
CID 56482406
1-((3'-Bromo-2'-chloro-[1,1'-biphenyl]-4-yl)methyl)-3,3-difluoropiperidine
CID 171934640
1-((3'-Bromo-2'-chloro-[1,1'-biphenyl]-4-yl)methyl)-4,4-difluoropiperidine
CID 171934641
4-(3-Bromo-2-chlorobenzyl)-2,2-dimethylmorpholine
CID 138490319
N-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]-N-methyl-2-[(3S)-oxolan-3-yl]oxyethanamine
CID 156560187
(3R)-1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]pyrrolidin-3-ol
CID 156560216
1-((3'-Bromo-2'-chloro-[1,1'-biphenyl]-4-yl)methyl)pyrrolidine
CID 156560218
(3R)-1-[2-[4-(3-bromo-2-chlorophenyl)phenyl]ethyl]pyrrolidin-3-ol
CID 156560223
2-[[4-(3-Bromo-2-chlorophenyl)phenyl]methyl-methylamino]ethyl methanesulfonate
CID 167200935
2-[(5-Bromo-2-chlorophenyl)methyl-ethylamino]ethanol
CID 60302899

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl-methylamino]ethanol?
The IUPAC name of 2-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl-methylamino]ethanol (CID 156560186) is 2-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl-methylamino]ethanol.
What is the SMILES notation for 2-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl-methylamino]ethanol?
The canonical SMILES for 2-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl-methylamino]ethanol is CN(CCO)Cc1ccc(-c2cccc(Br)c2Cl)cc1.
What is the InChIKey of 2-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl-methylamino]ethanol?
The InChIKey is NRVYKSTYPVQYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO/c1-19(9-10-20)11-12-5-7-13(8-6-12)14-3-2-4-15(17)16(14)18/h2-8,20H,9-11H2,1H3.
What are the key properties of 2-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl-methylamino]ethanol?
2-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl-methylamino]ethanol has a molecular weight of 354.68 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl-methylamino]ethanol is sourced from PubChem (CID 156560186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).