2-[(4-bromo-2-chloroanilino)methyl]-6-methoxyphenol

C14H13BrClNO2 — CID 43347281

IUPAC2-[(4-bromo-2-chloroanilino)methyl]-6-methoxyphenol
SMILESCOc1cccc(CNc2ccc(Br)cc2Cl)c1O
InChIInChI=1S/C14H13BrClNO2/c1-19-13-4-2-3-9(14(13)18)8-17-12-6-5-10(15)7-11(12)16/h2-7,17-18H,8H2,1H3
InChIKeyWNCUVTJUMQWZSC-UHFFFAOYSA-N
MW342.62 g/mol
LogP4.43
Rot. Bonds4

About 2-[(4-bromo-2-chloroanilino)methyl]-6-methoxyphenol

2-[(4-bromo-2-chloroanilino)methyl]-6-methoxyphenol (PubChem CID 43347281) has the molecular formula C14H13BrClNO2 and a molecular weight of 342.62 g/mol. Its IUPAC name is 2-[(4-bromo-2-chloroanilino)methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[(4-bromo-2-chloroanilino)methyl]-6-methoxyphenol
PubChem CID43347281
Molecular FormulaC14H13BrClNO2
Molecular Weight342.62 g/mol
Exact Mass340.98
IUPAC Name2-[(4-bromo-2-chloroanilino)methyl]-6-methoxyphenol
SMILESCOc1cccc(CNc2ccc(Br)cc2Cl)c1O
InChIInChI=1S/C14H13BrClNO2/c1-19-13-4-2-3-9(14(13)18)8-17-12-6-5-10(15)7-11(12)16/h2-7,17-18H,8H2,1H3
InChIKeyWNCUVTJUMQWZSC-UHFFFAOYSA-N
XLogP4.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.62
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,5-dichloro-4-methylanilino)methyl]-6-methoxyphenol
CID 104726382
4-bromo-2-[(2-hydroxy-3-methoxyphenyl)methylamino]benzonitrile
CID 107797479
2-[(2-chloro-5-methylanilino)methyl]-6-methoxyphenol
CID 103880785
4-bromo-2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline
CID 43410874
2-[(2-chloro-4-methylanilino)methyl]-6-ethoxyphenol
CID 28967743
4-bromo-2-chloro-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 43774893
methyl 2-[(4-bromo-2-chloroanilino)methyl]benzoate
CID 43774895
2-[(5-bromo-2,4-difluoroanilino)methyl]-6-methoxyphenol
CID 102852747
2-bromo-6-[(5-bromo-2-chloroanilino)methyl]phenol
CID 63477386
2-chloro-6-[(2,4-dibromoanilino)methyl]phenol
CID 112606455
2-[(2-bromo-4-nitroanilino)methyl]-6-methoxyphenol
CID 43742335
2-[(2-chloro-6-methylanilino)methyl]-6-methoxyphenol
CID 51047338

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-chloroanilino)methyl]-6-methoxyphenol?
The IUPAC name of 2-[(4-bromo-2-chloroanilino)methyl]-6-methoxyphenol (CID 43347281) is 2-[(4-bromo-2-chloroanilino)methyl]-6-methoxyphenol.
What is the SMILES notation for 2-[(4-bromo-2-chloroanilino)methyl]-6-methoxyphenol?
The canonical SMILES for 2-[(4-bromo-2-chloroanilino)methyl]-6-methoxyphenol is COc1cccc(CNc2ccc(Br)cc2Cl)c1O.
What is the InChIKey of 2-[(4-bromo-2-chloroanilino)methyl]-6-methoxyphenol?
The InChIKey is WNCUVTJUMQWZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO2/c1-19-13-4-2-3-9(14(13)18)8-17-12-6-5-10(15)7-11(12)16/h2-7,17-18H,8H2,1H3.
What are the key properties of 2-[(4-bromo-2-chloroanilino)methyl]-6-methoxyphenol?
2-[(4-bromo-2-chloroanilino)methyl]-6-methoxyphenol has a molecular weight of 342.62 g/mol, XLogP of 4.43, 4 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)methyl]-6-methoxyphenol is sourced from PubChem (CID 43347281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).