2-(4-bromo-2-methylanilino)-1-(4-methoxyphenyl)ethanol

C16H18BrNO2 — CID 60896340

IUPAC2-(4-bromo-2-methylanilino)-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CNc2ccc(Br)cc2C)cc1
InChIInChI=1S/C16H18BrNO2/c1-11-9-13(17)5-8-15(11)18-10-16(19)12-3-6-14(20-2)7-4-12/h3-9,16,18-19H,10H2,1-2H3
InChIKeyICXYBEWZOREAGZ-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.91
Rot. Bonds5

About 2-(4-bromo-2-methylanilino)-1-(4-methoxyphenyl)ethanol

2-(4-bromo-2-methylanilino)-1-(4-methoxyphenyl)ethanol (PubChem CID 60896340) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 2-(4-bromo-2-methylanilino)-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-2-methylanilino)-1-(4-methoxyphenyl)ethanol
PubChem CID60896340
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name2-(4-bromo-2-methylanilino)-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CNc2ccc(Br)cc2C)cc1
InChIInChI=1S/C16H18BrNO2/c1-11-9-13(17)5-8-15(11)18-10-16(19)12-3-6-14(20-2)7-4-12/h3-9,16,18-19H,10H2,1-2H3
InChIKeyICXYBEWZOREAGZ-UHFFFAOYSA-N
XLogP3.91
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-ethylanilino)-1-(4-methoxyphenyl)ethanol
CID 81288515
1-(3-bromophenyl)-2-(4-methoxy-2-methylanilino)ethanol
CID 62871336
2-(3-bromoanilino)-1-(4-methoxyphenyl)ethanol
CID 60898183
2-(5-bromo-2-methylanilino)-1-(3-methoxyphenyl)ethanol
CID 81135103
4-bromo-N-[1-(4-methoxyphenyl)ethyl]-2-methylaniline
CID 43192054
2-(2-chloro-5-methylanilino)-1-(4-methoxyphenyl)ethanol
CID 107634665
3-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]-4-methylbenzonitrile
CID 62104480
4-bromo-N-[1-(4-methoxyphenyl)propan-2-yl]-2-methylaniline
CID 43508695
2-(2,5-dibromoanilino)-1-(3-methoxyphenyl)ethanol
CID 81134139
2-(4-fluoro-2-methylanilino)-1-(4-fluorophenyl)ethanol
CID 60721085
1-(4-methoxyphenyl)-2-(2-methylsulfanylanilino)ethanol
CID 107644674
N-(2,4-dimethylphenyl)-4-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]-3-nitrobenzenesulfonamide
CID 55680961

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylanilino)-1-(4-methoxyphenyl)ethanol?
The IUPAC name of 2-(4-bromo-2-methylanilino)-1-(4-methoxyphenyl)ethanol (CID 60896340) is 2-(4-bromo-2-methylanilino)-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(4-bromo-2-methylanilino)-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 2-(4-bromo-2-methylanilino)-1-(4-methoxyphenyl)ethanol is COc1ccc(C(O)CNc2ccc(Br)cc2C)cc1.
What is the InChIKey of 2-(4-bromo-2-methylanilino)-1-(4-methoxyphenyl)ethanol?
The InChIKey is ICXYBEWZOREAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-11-9-13(17)5-8-15(11)18-10-16(19)12-3-6-14(20-2)7-4-12/h3-9,16,18-19H,10H2,1-2H3.
What are the key properties of 2-(4-bromo-2-methylanilino)-1-(4-methoxyphenyl)ethanol?
2-(4-bromo-2-methylanilino)-1-(4-methoxyphenyl)ethanol has a molecular weight of 336.23 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylanilino)-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 60896340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).