1-[3-bromo-4-(2-methoxy-N-methylanilino)phenyl]ethanol

C16H18BrNO2 — CID 62911327

IUPAC1-[3-bromo-4-(2-methoxy-N-methylanilino)phenyl]ethanol
SMILESCOc1ccccc1N(C)c1ccc(C(C)O)cc1Br
InChIInChI=1S/C16H18BrNO2/c1-11(19)12-8-9-14(13(17)10-12)18(2)15-6-4-5-7-16(15)20-3/h4-11,19H,1-3H3
InChIKeyLSKDTNVZPYLPKG-UHFFFAOYSA-N
MW336.23 g/mol
LogP4.28
Rot. Bonds4

About 1-[3-bromo-4-(2-methoxy-N-methylanilino)phenyl]ethanol

1-[3-bromo-4-(2-methoxy-N-methylanilino)phenyl]ethanol (PubChem CID 62911327) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 1-[3-bromo-4-(2-methoxy-N-methylanilino)phenyl]ethanol.

Molecular Properties

Compound Name1-[3-bromo-4-(2-methoxy-N-methylanilino)phenyl]ethanol
PubChem CID62911327
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name1-[3-bromo-4-(2-methoxy-N-methylanilino)phenyl]ethanol
SMILESCOc1ccccc1N(C)c1ccc(C(C)O)cc1Br
InChIInChI=1S/C16H18BrNO2/c1-11(19)12-8-9-14(13(17)10-12)18(2)15-6-4-5-7-16(15)20-3/h4-11,19H,1-3H3
InChIKeyLSKDTNVZPYLPKG-UHFFFAOYSA-N
XLogP4.28
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[3-fluoro-4-(2-methoxy-N-methylanilino)phenyl]ethanol
CID 78940821
(1S)-1-[3-bromo-4-(N,2-dimethylanilino)phenyl]ethanol
CID 78940882
1-[3-bromo-4-(N,2-dimethylanilino)phenyl]ethanol
CID 62912702
(1R)-1-[3-bromo-4-(N-methylanilino)phenyl]ethanol
CID 63371697
(1S)-1-[3-bromo-4-(2-methoxyphenyl)sulfanylphenyl]ethanol
CID 78951620
(1R)-1-[4-[benzyl(methyl)amino]-3-bromophenyl]ethanol
CID 55183003
1-[2-bromo-4-[(1R)-1-hydroxyethyl]-N-methylanilino]propan-2-ol
CID 63371869
(1R)-1-[3-bromo-4-[methyl(2-phenylethyl)amino]phenyl]ethanol
CID 65485907
2-[2-bromo-4-[(1S)-1-hydroxyethyl]-N-methylanilino]propan-1-ol
CID 104552647
1-[2-(2-methoxy-N-methylanilino)phenyl]propan-1-ol
CID 115995973
(1S)-1-[3-bromo-4-[1-(2-fluorophenyl)ethyl-methylamino]phenyl]ethanol
CID 78938511
1-(4-bromophenyl)-3-(2-methoxy-N-methylanilino)propan-1-ol
CID 62619697

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-(2-methoxy-N-methylanilino)phenyl]ethanol?
The IUPAC name of 1-[3-bromo-4-(2-methoxy-N-methylanilino)phenyl]ethanol (CID 62911327) is 1-[3-bromo-4-(2-methoxy-N-methylanilino)phenyl]ethanol.
What is the SMILES notation for 1-[3-bromo-4-(2-methoxy-N-methylanilino)phenyl]ethanol?
The canonical SMILES for 1-[3-bromo-4-(2-methoxy-N-methylanilino)phenyl]ethanol is COc1ccccc1N(C)c1ccc(C(C)O)cc1Br.
What is the InChIKey of 1-[3-bromo-4-(2-methoxy-N-methylanilino)phenyl]ethanol?
The InChIKey is LSKDTNVZPYLPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-11(19)12-8-9-14(13(17)10-12)18(2)15-6-4-5-7-16(15)20-3/h4-11,19H,1-3H3.
What are the key properties of 1-[3-bromo-4-(2-methoxy-N-methylanilino)phenyl]ethanol?
1-[3-bromo-4-(2-methoxy-N-methylanilino)phenyl]ethanol has a molecular weight of 336.23 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-(2-methoxy-N-methylanilino)phenyl]ethanol is sourced from PubChem (CID 62911327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).