2-[(2-bromo-5-methylanilino)methyl]-4-methoxyphenol

C15H16BrNO2 — CID 82761742

IUPAC2-[(2-bromo-5-methylanilino)methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CNc2cc(C)ccc2Br)c1
InChIInChI=1S/C15H16BrNO2/c1-10-3-5-13(16)14(7-10)17-9-11-8-12(19-2)4-6-15(11)18/h3-8,17-18H,9H2,1-2H3
InChIKeyAJVXDOWRDDOKBD-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.08
Rot. Bonds4

About 2-[(2-bromo-5-methylanilino)methyl]-4-methoxyphenol

2-[(2-bromo-5-methylanilino)methyl]-4-methoxyphenol (PubChem CID 82761742) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 2-[(2-bromo-5-methylanilino)methyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[(2-bromo-5-methylanilino)methyl]-4-methoxyphenol
PubChem CID82761742
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name2-[(2-bromo-5-methylanilino)methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CNc2cc(C)ccc2Br)c1
InChIInChI=1S/C15H16BrNO2/c1-10-3-5-13(16)14(7-10)17-9-11-8-12(19-2)4-6-15(11)18/h3-8,17-18H,9H2,1-2H3
InChIKeyAJVXDOWRDDOKBD-UHFFFAOYSA-N
XLogP4.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 54.08
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

4-[(2-bromo-5-methylanilino)methyl]-2-methoxyphenol
CID 82762170
N-[(2-bromo-5-methoxyphenyl)methyl]-2-chloro-4-methylaniline
CID 65323536
2-[(2,5-dimethylanilino)methyl]-5-methoxyphenol
CID 61267847
2-[(5-bromo-2-fluoroanilino)methyl]-4-methoxyphenol
CID 43555227
2-[(2-bromo-5-methoxyanilino)methyl]-6-methylpyridin-3-ol
CID 79151320
2-bromo-N-[(2-methoxyphenyl)methyl]-5-methylaniline
CID 82761234
4-methoxy-2-[(3-methoxy-2,4-dimethylanilino)methyl]phenol
CID 43738907
2-[(4-chloro-2-methylanilino)methyl]-4-methoxyphenol
CID 28622648
2,6-dibromo-4-[(2-bromo-5-methoxyanilino)methyl]phenol
CID 107740862
2-[(2-ethylanilino)methyl]-4-methoxyphenol
CID 28617814
2,6-dibromo-4-[(2-bromo-5-methylanilino)methyl]phenol
CID 107741003
2-[(4-ethoxy-2-methylanilino)methyl]-4-methoxyphenol
CID 60935381

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-methylanilino)methyl]-4-methoxyphenol?
The IUPAC name of 2-[(2-bromo-5-methylanilino)methyl]-4-methoxyphenol (CID 82761742) is 2-[(2-bromo-5-methylanilino)methyl]-4-methoxyphenol.
What is the SMILES notation for 2-[(2-bromo-5-methylanilino)methyl]-4-methoxyphenol?
The canonical SMILES for 2-[(2-bromo-5-methylanilino)methyl]-4-methoxyphenol is COc1ccc(O)c(CNc2cc(C)ccc2Br)c1.
What is the InChIKey of 2-[(2-bromo-5-methylanilino)methyl]-4-methoxyphenol?
The InChIKey is AJVXDOWRDDOKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-10-3-5-13(16)14(7-10)17-9-11-8-12(19-2)4-6-15(11)18/h3-8,17-18H,9H2,1-2H3.
What are the key properties of 2-[(2-bromo-5-methylanilino)methyl]-4-methoxyphenol?
2-[(2-bromo-5-methylanilino)methyl]-4-methoxyphenol has a molecular weight of 322.20 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-methylanilino)methyl]-4-methoxyphenol is sourced from PubChem (CID 82761742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).