(1R)-1-[3-bromo-4-(N-ethylanilino)phenyl]ethanol

C16H18BrNO — CID 55185186

IUPAC(1R)-1-[3-bromo-4-(N-ethylanilino)phenyl]ethanol
SMILESCCN(c1ccccc1)c1ccc([C@@H](C)O)cc1Br
InChIInChI=1S/C16H18BrNO/c1-3-18(14-7-5-4-6-8-14)16-10-9-13(12(2)19)11-15(16)17/h4-12,19H,3H2,1-2H3/t12-/m1/s1
InChIKeyIJEUDTZXQFOJHL-GFCCVEGCSA-N
MW320.23 g/mol
LogP4.66
Rot. Bonds4

About (1R)-1-[3-bromo-4-(N-ethylanilino)phenyl]ethanol

(1R)-1-[3-bromo-4-(N-ethylanilino)phenyl]ethanol (PubChem CID 55185186) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is (1R)-1-[3-bromo-4-(N-ethylanilino)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-bromo-4-(N-ethylanilino)phenyl]ethanol
PubChem CID55185186
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name(1R)-1-[3-bromo-4-(N-ethylanilino)phenyl]ethanol
SMILESCCN(c1ccccc1)c1ccc([C@@H](C)O)cc1Br
InChIInChI=1S/C16H18BrNO/c1-3-18(14-7-5-4-6-8-14)16-10-9-13(12(2)19)11-15(16)17/h4-12,19H,3H2,1-2H3/t12-/m1/s1
InChIKeyIJEUDTZXQFOJHL-GFCCVEGCSA-N
XLogP4.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1R)-1-aminoethyl]-2-bromo-N-ethyl-N-phenylaniline
CID 55191001
(1S)-1-[3-bromo-4-(N-ethyl-2-methylanilino)phenyl]ethanol
CID 78944645
(1R)-1-[4-(N-ethylanilino)-3-fluorophenyl]ethanol
CID 63370665
3-(N-[2-bromo-4-(1-hydroxyethyl)phenyl]anilino)propanenitrile
CID 62910033
(1R)-1-[3-bromo-4-(N-methylanilino)phenyl]ethanol
CID 63371697
1-[4-[benzyl(ethyl)amino]-3-bromophenyl]ethanol
CID 62909702
(1S)-1-[3-bromo-4-(diethylamino)phenyl]ethanol
CID 78939147
(1R)-1-[3-bromo-4-[ethyl(propan-2-yl)amino]phenyl]ethanol
CID 63370802
(1R)-1-[4-[benzyl(methyl)amino]-3-bromophenyl]ethanol
CID 55183003
2-bromo-4-(chloromethyl)-N-ethyl-N-phenylaniline
CID 114062458
(1R)-1-[4-[benzyl(propan-2-yl)amino]-3-bromophenyl]ethanol
CID 63540623
(1R)-1-[3-bromo-4-[methyl(2-phenylethyl)amino]phenyl]ethanol
CID 65485907

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-bromo-4-(N-ethylanilino)phenyl]ethanol?
The IUPAC name of (1R)-1-[3-bromo-4-(N-ethylanilino)phenyl]ethanol (CID 55185186) is (1R)-1-[3-bromo-4-(N-ethylanilino)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-bromo-4-(N-ethylanilino)phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-bromo-4-(N-ethylanilino)phenyl]ethanol is CCN(c1ccccc1)c1ccc([C@@H](C)O)cc1Br.
What is the InChIKey of (1R)-1-[3-bromo-4-(N-ethylanilino)phenyl]ethanol?
The InChIKey is IJEUDTZXQFOJHL-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-3-18(14-7-5-4-6-8-14)16-10-9-13(12(2)19)11-15(16)17/h4-12,19H,3H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-1-[3-bromo-4-(N-ethylanilino)phenyl]ethanol?
(1R)-1-[3-bromo-4-(N-ethylanilino)phenyl]ethanol has a molecular weight of 320.23 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-bromo-4-(N-ethylanilino)phenyl]ethanol is sourced from PubChem (CID 55185186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).