2-bromo-4-[(3-hydroxy-4-methylanilino)methyl]-6-methoxyphenol

C15H16BrNO3 — CID 107700951

IUPAC2-bromo-4-[(3-hydroxy-4-methylanilino)methyl]-6-methoxyphenol
SMILESCOc1cc(CNc2ccc(C)c(O)c2)cc(Br)c1O
InChIInChI=1S/C15H16BrNO3/c1-9-3-4-11(7-13(9)18)17-8-10-5-12(16)15(19)14(6-10)20-2/h3-7,17-19H,8H2,1-2H3
InChIKeyDLZPFVSKVDTOTN-UHFFFAOYSA-N
MW338.20 g/mol
LogP3.79
Rot. Bonds4

About 2-bromo-4-[(3-hydroxy-4-methylanilino)methyl]-6-methoxyphenol

2-bromo-4-[(3-hydroxy-4-methylanilino)methyl]-6-methoxyphenol (PubChem CID 107700951) has the molecular formula C15H16BrNO3 and a molecular weight of 338.20 g/mol. Its IUPAC name is 2-bromo-4-[(3-hydroxy-4-methylanilino)methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-bromo-4-[(3-hydroxy-4-methylanilino)methyl]-6-methoxyphenol
PubChem CID107700951
Molecular FormulaC15H16BrNO3
Molecular Weight338.20 g/mol
Exact Mass337.03
IUPAC Name2-bromo-4-[(3-hydroxy-4-methylanilino)methyl]-6-methoxyphenol
SMILESCOc1cc(CNc2ccc(C)c(O)c2)cc(Br)c1O
InChIInChI=1S/C15H16BrNO3/c1-9-3-4-11(7-13(9)18)17-8-10-5-12(16)15(19)14(6-10)20-2/h3-7,17-19H,8H2,1-2H3
InChIKeyDLZPFVSKVDTOTN-UHFFFAOYSA-N
XLogP3.79
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-hydroxy-4-methylanilino)methyl]-2,6-dimethoxyphenol
CID 107700768
2,6-dibromo-4-[(3-hydroxy-4-methylanilino)methyl]phenol
CID 107741199
2-bromo-4-[(3-hydroxyanilino)methyl]-6-methoxyphenol
CID 28722263
2-bromo-4-[(4-ethoxyanilino)methyl]-6-methoxyphenol
CID 29041411
4-[(3-bromo-4-methylanilino)methyl]-2-methoxyphenol
CID 63333437
5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-2-fluorobenzonitrile
CID 62316969
5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-2-chlorobenzonitrile
CID 43686817
2,6-dibromo-4-[(4-bromo-3-methylanilino)methyl]phenol
CID 107740455
2-bromo-6-methoxy-4-[(1H-pyrazol-4-ylamino)methyl]phenol
CID 43540114
4-[(3-chloro-4-hydroxyanilino)methyl]-2,6-dimethoxyphenol
CID 107678634
2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-6-methylbenzonitrile
CID 107803630
4-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-3-methylaniline
CID 993814

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(3-hydroxy-4-methylanilino)methyl]-6-methoxyphenol?
The IUPAC name of 2-bromo-4-[(3-hydroxy-4-methylanilino)methyl]-6-methoxyphenol (CID 107700951) is 2-bromo-4-[(3-hydroxy-4-methylanilino)methyl]-6-methoxyphenol.
What is the SMILES notation for 2-bromo-4-[(3-hydroxy-4-methylanilino)methyl]-6-methoxyphenol?
The canonical SMILES for 2-bromo-4-[(3-hydroxy-4-methylanilino)methyl]-6-methoxyphenol is COc1cc(CNc2ccc(C)c(O)c2)cc(Br)c1O.
What is the InChIKey of 2-bromo-4-[(3-hydroxy-4-methylanilino)methyl]-6-methoxyphenol?
The InChIKey is DLZPFVSKVDTOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3/c1-9-3-4-11(7-13(9)18)17-8-10-5-12(16)15(19)14(6-10)20-2/h3-7,17-19H,8H2,1-2H3.
What are the key properties of 2-bromo-4-[(3-hydroxy-4-methylanilino)methyl]-6-methoxyphenol?
2-bromo-4-[(3-hydroxy-4-methylanilino)methyl]-6-methoxyphenol has a molecular weight of 338.20 g/mol, XLogP of 3.79, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(3-hydroxy-4-methylanilino)methyl]-6-methoxyphenol is sourced from PubChem (CID 107700951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).