2-[1-(2-bromo-4-methylanilino)ethyl]-5-fluorophenol

C15H15BrFNO — CID 63066349

IUPAC2-[1-(2-bromo-4-methylanilino)ethyl]-5-fluorophenol
SMILESCc1ccc(NC(C)c2ccc(F)cc2O)c(Br)c1
InChIInChI=1S/C15H15BrFNO/c1-9-3-6-14(13(16)7-9)18-10(2)12-5-4-11(17)8-15(12)19/h3-8,10,18-19H,1-2H3
InChIKeyDDWBOBXZCAQXQC-UHFFFAOYSA-N
MW324.19 g/mol
LogP4.78
Rot. Bonds3

About 2-[1-(2-bromo-4-methylanilino)ethyl]-5-fluorophenol

2-[1-(2-bromo-4-methylanilino)ethyl]-5-fluorophenol (PubChem CID 63066349) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 2-[1-(2-bromo-4-methylanilino)ethyl]-5-fluorophenol.

Molecular Properties

Compound Name2-[1-(2-bromo-4-methylanilino)ethyl]-5-fluorophenol
PubChem CID63066349
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name2-[1-(2-bromo-4-methylanilino)ethyl]-5-fluorophenol
SMILESCc1ccc(NC(C)c2ccc(F)cc2O)c(Br)c1
InChIInChI=1S/C15H15BrFNO/c1-9-3-6-14(13(16)7-9)18-10(2)12-5-4-11(17)8-15(12)19/h3-8,10,18-19H,1-2H3
InChIKeyDDWBOBXZCAQXQC-UHFFFAOYSA-N
XLogP4.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-chloro-4-methylanilino)ethyl]-5-fluorophenol
CID 63064776
2-[1-(2,4-dibromoanilino)ethyl]-5-methylphenol
CID 43682995
2-bromo-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluoroaniline
CID 43119372
2-[1-(4-bromo-2,3-dichloroanilino)ethyl]-5-fluorophenol
CID 107787782
2-bromo-4-fluoro-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline
CID 43772548
2-[1-(2-fluoro-4-methylanilino)ethyl]-5-methylphenol
CID 43114127
3-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-2,6-dimethylphenol
CID 63064990
5-fluoro-2-[1-(4-fluoro-2-methoxyanilino)ethyl]phenol
CID 63069226
2-[1-(4-bromo-3,5-dimethylanilino)ethyl]-5-fluorophenol
CID 107572030
2-bromo-N-[1-(2-methoxy-4-methylphenyl)ethyl]-4-methylaniline
CID 43757713
2-[1-(2-bromo-5-fluoroanilino)ethyl]phenol
CID 107633370
2-[1-(4-bromo-2-chloroanilino)ethyl]-5-methylphenol
CID 43168129

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bromo-4-methylanilino)ethyl]-5-fluorophenol?
The IUPAC name of 2-[1-(2-bromo-4-methylanilino)ethyl]-5-fluorophenol (CID 63066349) is 2-[1-(2-bromo-4-methylanilino)ethyl]-5-fluorophenol.
What is the SMILES notation for 2-[1-(2-bromo-4-methylanilino)ethyl]-5-fluorophenol?
The canonical SMILES for 2-[1-(2-bromo-4-methylanilino)ethyl]-5-fluorophenol is Cc1ccc(NC(C)c2ccc(F)cc2O)c(Br)c1.
What is the InChIKey of 2-[1-(2-bromo-4-methylanilino)ethyl]-5-fluorophenol?
The InChIKey is DDWBOBXZCAQXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-9-3-6-14(13(16)7-9)18-10(2)12-5-4-11(17)8-15(12)19/h3-8,10,18-19H,1-2H3.
What are the key properties of 2-[1-(2-bromo-4-methylanilino)ethyl]-5-fluorophenol?
2-[1-(2-bromo-4-methylanilino)ethyl]-5-fluorophenol has a molecular weight of 324.19 g/mol, XLogP of 4.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bromo-4-methylanilino)ethyl]-5-fluorophenol is sourced from PubChem (CID 63066349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).