2-(4-bromoanilino)-2-(2,5-dimethoxyphenyl)ethanol

C16H18BrNO3 — CID 61048862

IUPAC2-(4-bromoanilino)-2-(2,5-dimethoxyphenyl)ethanol
SMILESCOc1ccc(OC)c(C(CO)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C16H18BrNO3/c1-20-13-7-8-16(21-2)14(9-13)15(10-19)18-12-5-3-11(17)4-6-12/h3-9,15,18-19H,10H2,1-2H3
InChIKeyXOEHIVXFZVNHLR-UHFFFAOYSA-N
MW352.23 g/mol
LogP3.61
Rot. Bonds6

About 2-(4-bromoanilino)-2-(2,5-dimethoxyphenyl)ethanol

2-(4-bromoanilino)-2-(2,5-dimethoxyphenyl)ethanol (PubChem CID 61048862) has the molecular formula C16H18BrNO3 and a molecular weight of 352.23 g/mol. Its IUPAC name is 2-(4-bromoanilino)-2-(2,5-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(4-bromoanilino)-2-(2,5-dimethoxyphenyl)ethanol
PubChem CID61048862
Molecular FormulaC16H18BrNO3
Molecular Weight352.23 g/mol
Exact Mass351.05
IUPAC Name2-(4-bromoanilino)-2-(2,5-dimethoxyphenyl)ethanol
SMILESCOc1ccc(OC)c(C(CO)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C16H18BrNO3/c1-20-13-7-8-16(21-2)14(9-13)15(10-19)18-12-5-3-11(17)4-6-12/h3-9,15,18-19H,10H2,1-2H3
InChIKeyXOEHIVXFZVNHLR-UHFFFAOYSA-N
XLogP3.61
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-anilino-2-(2,4-dimethoxyphenyl)ethanol
CID 61047149
2-(5-bromo-2-methoxyphenyl)-2-(2-hydroxyethylamino)ethanol
CID 66490760
4-bromo-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline
CID 43194565
(1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol
CID 51666215
2-(5-bromo-2-methoxyphenyl)-2-(butan-2-ylamino)ethanol
CID 61050211
2-(2,4-dichlorophenyl)-2-(4-methoxyanilino)ethanol
CID 61044772
2-(2-bromo-5-methoxyphenyl)-2-(methylamino)ethanol
CID 103845987
(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)ethanol
CID 66515416
3-(2,5-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol
CID 83938229
1-(4-bromophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine
CID 65385796
N-(4-bromophenyl)-1-(3,4-dimethoxyphenyl)ethane-1,2-diamine
CID 65377060
2-(3-bromo-4-methoxyphenyl)-2-(4-chloroanilino)ethanol
CID 61049903

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-2-(2,5-dimethoxyphenyl)ethanol?
The IUPAC name of 2-(4-bromoanilino)-2-(2,5-dimethoxyphenyl)ethanol (CID 61048862) is 2-(4-bromoanilino)-2-(2,5-dimethoxyphenyl)ethanol.
What is the SMILES notation for 2-(4-bromoanilino)-2-(2,5-dimethoxyphenyl)ethanol?
The canonical SMILES for 2-(4-bromoanilino)-2-(2,5-dimethoxyphenyl)ethanol is COc1ccc(OC)c(C(CO)Nc2ccc(Br)cc2)c1.
What is the InChIKey of 2-(4-bromoanilino)-2-(2,5-dimethoxyphenyl)ethanol?
The InChIKey is XOEHIVXFZVNHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO3/c1-20-13-7-8-16(21-2)14(9-13)15(10-19)18-12-5-3-11(17)4-6-12/h3-9,15,18-19H,10H2,1-2H3.
What are the key properties of 2-(4-bromoanilino)-2-(2,5-dimethoxyphenyl)ethanol?
2-(4-bromoanilino)-2-(2,5-dimethoxyphenyl)ethanol has a molecular weight of 352.23 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-2-(2,5-dimethoxyphenyl)ethanol is sourced from PubChem (CID 61048862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).