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

C15H16BrNO2 — CID 63333437

IUPAC4-[(3-bromo-4-methylanilino)methyl]-2-methoxyphenol
SMILESCOc1cc(CNc2ccc(C)c(Br)c2)ccc1O
InChIInChI=1S/C15H16BrNO2/c1-10-3-5-12(8-13(10)16)17-9-11-4-6-14(18)15(7-11)19-2/h3-8,17-18H,9H2,1-2H3
InChIKeyPLNZRUJSDMEBDO-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.08
Rot. Bonds4

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

4-[(3-bromo-4-methylanilino)methyl]-2-methoxyphenol (PubChem CID 63333437) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 4-[(3-bromo-4-methylanilino)methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(3-bromo-4-methylanilino)methyl]-2-methoxyphenol
PubChem CID63333437
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name4-[(3-bromo-4-methylanilino)methyl]-2-methoxyphenol
SMILESCOc1cc(CNc2ccc(C)c(Br)c2)ccc1O
InChIInChI=1S/C15H16BrNO2/c1-10-3-5-12(8-13(10)16)17-9-11-4-6-14(18)15(7-11)19-2/h3-8,17-18H,9H2,1-2H3
InChIKeyPLNZRUJSDMEBDO-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

3-bromo-N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-methylaniline
CID 63333064
4-[(3-hydroxy-4-methoxyanilino)methyl]-2-methoxyphenol
CID 43743646
2-methoxy-4-[(4-methylanilino)methyl]phenol
CID 4093534
N-[(3-bromo-4-methylphenyl)methyl]-4-chloro-3-methoxyaniline
CID 107621235
4-[(5-bromo-2-methylanilino)methyl]-2-methoxyphenol
CID 43729448
2-bromo-4-[(3-hydroxy-4-methylanilino)methyl]-6-methoxyphenol
CID 107700951
4-[(2-bromo-5-methylanilino)methyl]-2-methoxyphenol
CID 82762170
3-bromo-N-[(3-chloro-4-methylphenyl)methyl]-4-methoxyaniline
CID 106816897
4-[[4-(dimethylamino)anilino]methyl]-2-methoxyphenol
CID 39371639
2-bromo-4-[(4-chloro-3-methoxyanilino)methyl]phenol
CID 107621009
3-bromo-4-methyl-N-[(4-methylphenyl)methyl]aniline
CID 39395065
4-[(3-hydroxy-4-methylanilino)methyl]-2,6-dimethoxyphenol
CID 107700768

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-4-methylanilino)methyl]-2-methoxyphenol?
The IUPAC name of 4-[(3-bromo-4-methylanilino)methyl]-2-methoxyphenol (CID 63333437) is 4-[(3-bromo-4-methylanilino)methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(3-bromo-4-methylanilino)methyl]-2-methoxyphenol?
The canonical SMILES for 4-[(3-bromo-4-methylanilino)methyl]-2-methoxyphenol is COc1cc(CNc2ccc(C)c(Br)c2)ccc1O.
What is the InChIKey of 4-[(3-bromo-4-methylanilino)methyl]-2-methoxyphenol?
The InChIKey is PLNZRUJSDMEBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-10-3-5-12(8-13(10)16)17-9-11-4-6-14(18)15(7-11)19-2/h3-8,17-18H,9H2,1-2H3.
What are the key properties of 4-[(3-bromo-4-methylanilino)methyl]-2-methoxyphenol?
4-[(3-bromo-4-methylanilino)methyl]-2-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 4-[(3-bromo-4-methylanilino)methyl]-2-methoxyphenol is sourced from PubChem (CID 63333437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).