2-bromo-4-[(2-methoxy-5-methylanilino)methyl]phenol

C15H16BrNO2 — CID 63046876

IUPAC2-bromo-4-[(2-methoxy-5-methylanilino)methyl]phenol
SMILESCOc1ccc(C)cc1NCc1ccc(O)c(Br)c1
InChIInChI=1S/C15H16BrNO2/c1-10-3-6-15(19-2)13(7-10)17-9-11-4-5-14(18)12(16)8-11/h3-8,17-18H,9H2,1-2H3
InChIKeyOMOKGCDFPJKUKS-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.08
Rot. Bonds4

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

2-bromo-4-[(2-methoxy-5-methylanilino)methyl]phenol (PubChem CID 63046876) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 2-bromo-4-[(2-methoxy-5-methylanilino)methyl]phenol.

Molecular Properties

Compound Name2-bromo-4-[(2-methoxy-5-methylanilino)methyl]phenol
PubChem CID63046876
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name2-bromo-4-[(2-methoxy-5-methylanilino)methyl]phenol
SMILESCOc1ccc(C)cc1NCc1ccc(O)c(Br)c1
InChIInChI=1S/C15H16BrNO2/c1-10-3-6-15(19-2)13(7-10)17-9-11-4-5-14(18)12(16)8-11/h3-8,17-18H,9H2,1-2H3
InChIKeyOMOKGCDFPJKUKS-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

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Related Compounds

4-[(2-bromo-5-methylanilino)methyl]-2-methoxyphenol
CID 82762170
2-[(4-hydroxy-3-methoxyphenyl)methylamino]-4-methylphenol
CID 83320633
2-N-[(3-bromo-4-methoxyphenyl)methyl]-4-methylbenzene-1,2-diamine
CID 115126339
4-[(5-bromo-2-methoxyanilino)methyl]benzene-1,2-diol
CID 61059476
2-bromo-N-[(3-chloro-4-methoxyphenyl)methyl]-5-methylaniline
CID 82762114
2-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylaniline
CID 82761157
1-N-[(3-bromo-4-methoxyphenyl)methyl]-4-methylbenzene-1,2-diamine
CID 115125046
2-bromo-4-[(5-methyl-2-nitroanilino)methyl]phenol
CID 115715963
2-bromo-4-[(4-methylanilino)methyl]phenol
CID 55025634
N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-5-methylaniline
CID 2853674
2-bromo-4-[(4-chloro-3-methoxyanilino)methyl]phenol
CID 107621009
2-bromo-4-[(5-bromo-2-methylanilino)methyl]phenol
CID 60960746

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(2-methoxy-5-methylanilino)methyl]phenol?
The IUPAC name of 2-bromo-4-[(2-methoxy-5-methylanilino)methyl]phenol (CID 63046876) is 2-bromo-4-[(2-methoxy-5-methylanilino)methyl]phenol.
What is the SMILES notation for 2-bromo-4-[(2-methoxy-5-methylanilino)methyl]phenol?
The canonical SMILES for 2-bromo-4-[(2-methoxy-5-methylanilino)methyl]phenol is COc1ccc(C)cc1NCc1ccc(O)c(Br)c1.
What is the InChIKey of 2-bromo-4-[(2-methoxy-5-methylanilino)methyl]phenol?
The InChIKey is OMOKGCDFPJKUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-10-3-6-15(19-2)13(7-10)17-9-11-4-5-14(18)12(16)8-11/h3-8,17-18H,9H2,1-2H3.
What are the key properties of 2-bromo-4-[(2-methoxy-5-methylanilino)methyl]phenol?
2-bromo-4-[(2-methoxy-5-methylanilino)methyl]phenol 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-bromo-4-[(2-methoxy-5-methylanilino)methyl]phenol is sourced from PubChem (CID 63046876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).