2,6-dibromo-4-[(4-chloro-2-methoxy-5-methylanilino)methyl]phenol

C15H14Br2ClNO2 — CID 107740442

IUPAC2,6-dibromo-4-[(4-chloro-2-methoxy-5-methylanilino)methyl]phenol
SMILESCOc1cc(Cl)c(C)cc1NCc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C15H14Br2ClNO2/c1-8-3-13(14(21-2)6-12(8)18)19-7-9-4-10(16)15(20)11(17)5-9/h3-6,19-20H,7H2,1-2H3
InChIKeyAKIKMSOVLIUSHO-UHFFFAOYSA-N
MW435.54 g/mol
LogP5.50
Rot. Bonds4

About 2,6-dibromo-4-[(4-chloro-2-methoxy-5-methylanilino)methyl]phenol

2,6-dibromo-4-[(4-chloro-2-methoxy-5-methylanilino)methyl]phenol (PubChem CID 107740442) has the molecular formula C15H14Br2ClNO2 and a molecular weight of 435.54 g/mol. Its IUPAC name is 2,6-dibromo-4-[(4-chloro-2-methoxy-5-methylanilino)methyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[(4-chloro-2-methoxy-5-methylanilino)methyl]phenol
PubChem CID107740442
Molecular FormulaC15H14Br2ClNO2
Molecular Weight435.54 g/mol
Exact Mass432.91
IUPAC Name2,6-dibromo-4-[(4-chloro-2-methoxy-5-methylanilino)methyl]phenol
SMILESCOc1cc(Cl)c(C)cc1NCc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C15H14Br2ClNO2/c1-8-3-13(14(21-2)6-12(8)18)19-7-9-4-10(16)15(20)11(17)5-9/h3-6,19-20H,7H2,1-2H3
InChIKeyAKIKMSOVLIUSHO-UHFFFAOYSA-N
XLogP5.50
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.54
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(3,5-difluorophenyl)methyl]-2-methoxy-5-methylaniline
CID 105402906
4-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-5-methylaniline
CID 63419097
4-chloro-2-methoxy-5-methyl-N-(1H-pyrrol-3-ylmethyl)aniline
CID 66408910
2,6-dibromo-4-[(4-chloro-2-methylanilino)methyl]phenol
CID 107740487
4-[(3,5-dibromo-4-methoxyphenyl)methylamino]-2,5-dimethylphenol
CID 106953832
3-[(4-chloro-2-methoxy-5-methylanilino)methyl]benzamide
CID 28529683
2,6-dibromo-4-[(2-bromo-5-methoxyanilino)methyl]phenol
CID 107740862
2-bromo-4-[(2,6-dichloro-4-fluoroanilino)methyl]-6-methoxyphenol
CID 83078315
N'-(5-chloro-2-methoxy-4-methylphenyl)methanediamine
CID 115225402
4-chloro-2-methoxy-5-methyl-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66398156
1-(4-chloro-2-methoxy-5-methylphenyl)-3-ethylthiourea
CID 29175684
4-chloro-2-methoxy-5-methyl-N-(3-methylbut-3-enyl)aniline
CID 114471885

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[(4-chloro-2-methoxy-5-methylanilino)methyl]phenol?
The IUPAC name of 2,6-dibromo-4-[(4-chloro-2-methoxy-5-methylanilino)methyl]phenol (CID 107740442) is 2,6-dibromo-4-[(4-chloro-2-methoxy-5-methylanilino)methyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[(4-chloro-2-methoxy-5-methylanilino)methyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[(4-chloro-2-methoxy-5-methylanilino)methyl]phenol is COc1cc(Cl)c(C)cc1NCc1cc(Br)c(O)c(Br)c1.
What is the InChIKey of 2,6-dibromo-4-[(4-chloro-2-methoxy-5-methylanilino)methyl]phenol?
The InChIKey is AKIKMSOVLIUSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2ClNO2/c1-8-3-13(14(21-2)6-12(8)18)19-7-9-4-10(16)15(20)11(17)5-9/h3-6,19-20H,7H2,1-2H3.
What are the key properties of 2,6-dibromo-4-[(4-chloro-2-methoxy-5-methylanilino)methyl]phenol?
2,6-dibromo-4-[(4-chloro-2-methoxy-5-methylanilino)methyl]phenol has a molecular weight of 435.54 g/mol, XLogP of 5.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[(4-chloro-2-methoxy-5-methylanilino)methyl]phenol is sourced from PubChem (CID 107740442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).