2-(4-bromo-2-chloroanilino)-1-(2-methoxy-5-methylphenyl)ethanol

C16H17BrClNO2 — CID 60901198

IUPAC2-(4-bromo-2-chloroanilino)-1-(2-methoxy-5-methylphenyl)ethanol
SMILESCOc1ccc(C)cc1C(O)CNc1ccc(Br)cc1Cl
InChIInChI=1S/C16H17BrClNO2/c1-10-3-6-16(21-2)12(7-10)15(20)9-19-14-5-4-11(17)8-13(14)18/h3-8,15,19-20H,9H2,1-2H3
InChIKeyFMGZCOJENFJUCQ-UHFFFAOYSA-N
MW370.67 g/mol
LogP4.57
Rot. Bonds5

About 2-(4-bromo-2-chloroanilino)-1-(2-methoxy-5-methylphenyl)ethanol

2-(4-bromo-2-chloroanilino)-1-(2-methoxy-5-methylphenyl)ethanol (PubChem CID 60901198) has the molecular formula C16H17BrClNO2 and a molecular weight of 370.67 g/mol. Its IUPAC name is 2-(4-bromo-2-chloroanilino)-1-(2-methoxy-5-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-2-chloroanilino)-1-(2-methoxy-5-methylphenyl)ethanol
PubChem CID60901198
Molecular FormulaC16H17BrClNO2
Molecular Weight370.67 g/mol
Exact Mass369.01
IUPAC Name2-(4-bromo-2-chloroanilino)-1-(2-methoxy-5-methylphenyl)ethanol
SMILESCOc1ccc(C)cc1C(O)CNc1ccc(Br)cc1Cl
InChIInChI=1S/C16H17BrClNO2/c1-10-3-6-16(21-2)12(7-10)15(20)9-19-14-5-4-11(17)8-13(14)18/h3-8,15,19-20H,9H2,1-2H3
InChIKeyFMGZCOJENFJUCQ-UHFFFAOYSA-N
XLogP4.57
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.67
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-fluoroanilino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 61469773
1-(2-methoxy-5-methylphenyl)-2-(2-methylanilino)ethanol
CID 60900549
2-(2-chloro-6-methylanilino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 66252932
2-(3-chloroanilino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60897559
2-(4-bromo-2-chloroanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 33169745
2-(2-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol
CID 60901932
(4-bromo-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 43805331
2-(tert-butylamino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60901325
1-(3-bromophenyl)-2-(2-methoxy-5-methylanilino)ethanol
CID 60898693
1-(5-bromo-2-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 63894596
N-(4-bromo-2-chlorophenyl)-2-methoxy-5-methylbenzamide
CID 34054741
2-(2-chloro-4-methylanilino)-1-(4-chlorophenyl)ethanol
CID 60724888

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chloroanilino)-1-(2-methoxy-5-methylphenyl)ethanol?
The IUPAC name of 2-(4-bromo-2-chloroanilino)-1-(2-methoxy-5-methylphenyl)ethanol (CID 60901198) is 2-(4-bromo-2-chloroanilino)-1-(2-methoxy-5-methylphenyl)ethanol.
What is the SMILES notation for 2-(4-bromo-2-chloroanilino)-1-(2-methoxy-5-methylphenyl)ethanol?
The canonical SMILES for 2-(4-bromo-2-chloroanilino)-1-(2-methoxy-5-methylphenyl)ethanol is COc1ccc(C)cc1C(O)CNc1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chloroanilino)-1-(2-methoxy-5-methylphenyl)ethanol?
The InChIKey is FMGZCOJENFJUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO2/c1-10-3-6-16(21-2)12(7-10)15(20)9-19-14-5-4-11(17)8-13(14)18/h3-8,15,19-20H,9H2,1-2H3.
What are the key properties of 2-(4-bromo-2-chloroanilino)-1-(2-methoxy-5-methylphenyl)ethanol?
2-(4-bromo-2-chloroanilino)-1-(2-methoxy-5-methylphenyl)ethanol has a molecular weight of 370.67 g/mol, XLogP of 4.57, 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-chloroanilino)-1-(2-methoxy-5-methylphenyl)ethanol is sourced from PubChem (CID 60901198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).