2-(3-bromoanilino)-1-(4-methoxyphenyl)ethanol

C15H16BrNO2 — CID 60898183

IUPAC2-(3-bromoanilino)-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CNc2cccc(Br)c2)cc1
InChIInChI=1S/C15H16BrNO2/c1-19-14-7-5-11(6-8-14)15(18)10-17-13-4-2-3-12(16)9-13/h2-9,15,17-18H,10H2,1H3
InChIKeyVWQNYEVUPGRNTR-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.60
Rot. Bonds5

About 2-(3-bromoanilino)-1-(4-methoxyphenyl)ethanol

2-(3-bromoanilino)-1-(4-methoxyphenyl)ethanol (PubChem CID 60898183) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 2-(3-bromoanilino)-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromoanilino)-1-(4-methoxyphenyl)ethanol
PubChem CID60898183
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name2-(3-bromoanilino)-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CNc2cccc(Br)c2)cc1
InChIInChI=1S/C15H16BrNO2/c1-19-14-7-5-11(6-8-14)15(18)10-17-13-4-2-3-12(16)9-13/h2-9,15,17-18H,10H2,1H3
InChIKeyVWQNYEVUPGRNTR-UHFFFAOYSA-N
XLogP3.60
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromoanilino)-1-phenylethanol
CID 60719910
2-(3-bromoanilino)-1-(4-chlorophenyl)ethanol
CID 60724934
1-(3-bromoanilino)-3-(4-methoxyphenoxy)propan-2-ol
CID 60719999
2-(4-bromo-2-methylanilino)-1-(4-methoxyphenyl)ethanol
CID 60896340
2-(3-bromo-5-methylanilino)-1-(3-methoxyphenyl)ethanol
CID 107583297
2-(4-bromo-2-ethylanilino)-1-(4-methoxyphenyl)ethanol
CID 81288515
1-(3-bromophenyl)-2-(4-methoxy-2-methylanilino)ethanol
CID 62871336
2-(2,6-difluoroanilino)-1-(4-methoxyphenyl)ethanol
CID 60900221
2-(4-ethylanilino)-1-(4-methoxyphenyl)ethanol
CID 60901649
(S)-(3-bromophenyl)-(4-methoxyphenyl)methanol
CID 93325981
(2S)-1-(3-bromoanilino)butan-2-ol
CID 93345591
3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]benzamide
CID 107811332

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-1-(4-methoxyphenyl)ethanol?
The IUPAC name of 2-(3-bromoanilino)-1-(4-methoxyphenyl)ethanol (CID 60898183) is 2-(3-bromoanilino)-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(3-bromoanilino)-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 2-(3-bromoanilino)-1-(4-methoxyphenyl)ethanol is COc1ccc(C(O)CNc2cccc(Br)c2)cc1.
What is the InChIKey of 2-(3-bromoanilino)-1-(4-methoxyphenyl)ethanol?
The InChIKey is VWQNYEVUPGRNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-19-14-7-5-11(6-8-14)15(18)10-17-13-4-2-3-12(16)9-13/h2-9,15,17-18H,10H2,1H3.
What are the key properties of 2-(3-bromoanilino)-1-(4-methoxyphenyl)ethanol?
2-(3-bromoanilino)-1-(4-methoxyphenyl)ethanol has a molecular weight of 322.20 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 60898183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).