1-(3-bromophenyl)-2-(2-ethoxyanilino)ethanol

C16H18BrNO2 — CID 60896322

IUPAC1-(3-bromophenyl)-2-(2-ethoxyanilino)ethanol
SMILESCCOc1ccccc1NCC(O)c1cccc(Br)c1
InChIInChI=1S/C16H18BrNO2/c1-2-20-16-9-4-3-8-14(16)18-11-15(19)12-6-5-7-13(17)10-12/h3-10,15,18-19H,2,11H2,1H3
InChIKeyQOEAGNPKGDBILL-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.99
Rot. Bonds6

About 1-(3-bromophenyl)-2-(2-ethoxyanilino)ethanol

1-(3-bromophenyl)-2-(2-ethoxyanilino)ethanol (PubChem CID 60896322) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(2-ethoxyanilino)ethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(2-ethoxyanilino)ethanol
PubChem CID60896322
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name1-(3-bromophenyl)-2-(2-ethoxyanilino)ethanol
SMILESCCOc1ccccc1NCC(O)c1cccc(Br)c1
InChIInChI=1S/C16H18BrNO2/c1-2-20-16-9-4-3-8-14(16)18-11-15(19)12-6-5-7-13(17)10-12/h3-10,15,18-19H,2,11H2,1H3
InChIKeyQOEAGNPKGDBILL-UHFFFAOYSA-N
XLogP3.99
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-acetamido-N-[(2R)-2-(3-bromophenyl)-2-hydroxyethyl]-3-(2-ethoxyphenyl)propanamide
CID 100739355
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1-(3-bromophenyl)-2-(4-fluoro-2-methylanilino)ethanol
CID 60900314
2-(2-bromo-5-fluoroanilino)-1-(3-bromophenyl)ethanol
CID 107635976
(1R)-1-(3-bromophenyl)-2-(methylamino)ethanol
CID 39247726
1-(3-bromophenyl)-2-(4-methoxy-2-methylanilino)ethanol
CID 62871336
3-amino-2-(3-bromophenyl)-1-(2-ethoxyphenyl)propan-1-ol
CID 65187873
(5-bromo-2-ethoxyphenyl)-(3-bromophenyl)methanol
CID 61082247
(1S)-1-(3-bromophenyl)-N-[1-(2-ethoxyphenyl)ethyl]ethanamine
CID 81381142
1-(3-bromophenyl)-2-(5-chloro-2-fluoroanilino)ethanol
CID 60909028
tert-butyl N-[(2S)-2-(3-bromophenyl)-2-hydroxyethyl]carbamate
CID 99867079
2-(5-bromo-2,4-difluoroanilino)-1-(3-bromophenyl)ethanol
CID 102853410

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(2-ethoxyanilino)ethanol?
The IUPAC name of 1-(3-bromophenyl)-2-(2-ethoxyanilino)ethanol (CID 60896322) is 1-(3-bromophenyl)-2-(2-ethoxyanilino)ethanol.
What is the SMILES notation for 1-(3-bromophenyl)-2-(2-ethoxyanilino)ethanol?
The canonical SMILES for 1-(3-bromophenyl)-2-(2-ethoxyanilino)ethanol is CCOc1ccccc1NCC(O)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(2-ethoxyanilino)ethanol?
The InChIKey is QOEAGNPKGDBILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-2-20-16-9-4-3-8-14(16)18-11-15(19)12-6-5-7-13(17)10-12/h3-10,15,18-19H,2,11H2,1H3.
What are the key properties of 1-(3-bromophenyl)-2-(2-ethoxyanilino)ethanol?
1-(3-bromophenyl)-2-(2-ethoxyanilino)ethanol has a molecular weight of 336.23 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(2-ethoxyanilino)ethanol is sourced from PubChem (CID 60896322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).