2,6-dibromo-4-[(3-hydroxy-4-methylanilino)methyl]phenol

C14H13Br2NO2 — CID 107741199

IUPAC2,6-dibromo-4-[(3-hydroxy-4-methylanilino)methyl]phenol
SMILESCc1ccc(NCc2cc(Br)c(O)c(Br)c2)cc1O
InChIInChI=1S/C14H13Br2NO2/c1-8-2-3-10(6-13(8)18)17-7-9-4-11(15)14(19)12(16)5-9/h2-6,17-19H,7H2,1H3
InChIKeyJWZXXRSMHQGDTQ-UHFFFAOYSA-N
MW387.07 g/mol
LogP4.54
Rot. Bonds3

About 2,6-dibromo-4-[(3-hydroxy-4-methylanilino)methyl]phenol

2,6-dibromo-4-[(3-hydroxy-4-methylanilino)methyl]phenol (PubChem CID 107741199) has the molecular formula C14H13Br2NO2 and a molecular weight of 387.07 g/mol. Its IUPAC name is 2,6-dibromo-4-[(3-hydroxy-4-methylanilino)methyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[(3-hydroxy-4-methylanilino)methyl]phenol
PubChem CID107741199
Molecular FormulaC14H13Br2NO2
Molecular Weight387.07 g/mol
Exact Mass384.93
IUPAC Name2,6-dibromo-4-[(3-hydroxy-4-methylanilino)methyl]phenol
SMILESCc1ccc(NCc2cc(Br)c(O)c(Br)c2)cc1O
InChIInChI=1S/C14H13Br2NO2/c1-8-2-3-10(6-13(8)18)17-7-9-4-11(15)14(19)12(16)5-9/h2-6,17-19H,7H2,1H3
InChIKeyJWZXXRSMHQGDTQ-UHFFFAOYSA-N
XLogP4.54
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.07
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-[(3-hydroxy-4-methylanilino)methyl]-6-methoxyphenol
CID 107700951
2,6-dibromo-4-[(4-bromo-3-methylanilino)methyl]phenol
CID 107740455
2,6-dibromo-4-[(3-methylanilino)methyl]phenol
CID 103619387
4-[(3-hydroxy-4-methylanilino)methyl]-2,6-dimethoxyphenol
CID 107700768
5-[(3-hydroxyphenyl)methylamino]-2-methylphenol
CID 22983329
2-bromo-4-[(4-bromo-3-methylanilino)methyl]phenol
CID 60962378
5-[(3-chlorophenyl)methylamino]-2-methylphenol
CID 18615765
5-[(6-bromo-1,3-benzodioxol-5-yl)methylamino]-2-methylphenol
CID 107700357
5-[(4-bromo-2-chlorophenyl)methylamino]-2-methylphenol
CID 107699880
2-bromo-4-[(4-methylanilino)methyl]phenol
CID 55025634
2,6-dibromo-4-[(2-bromo-5-methylanilino)methyl]phenol
CID 107741003
2-chloro-5-[(3,5-dibromo-4-hydroxyphenyl)methylamino]benzonitrile
CID 107740562

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[(3-hydroxy-4-methylanilino)methyl]phenol?
The IUPAC name of 2,6-dibromo-4-[(3-hydroxy-4-methylanilino)methyl]phenol (CID 107741199) is 2,6-dibromo-4-[(3-hydroxy-4-methylanilino)methyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[(3-hydroxy-4-methylanilino)methyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[(3-hydroxy-4-methylanilino)methyl]phenol is Cc1ccc(NCc2cc(Br)c(O)c(Br)c2)cc1O.
What is the InChIKey of 2,6-dibromo-4-[(3-hydroxy-4-methylanilino)methyl]phenol?
The InChIKey is JWZXXRSMHQGDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO2/c1-8-2-3-10(6-13(8)18)17-7-9-4-11(15)14(19)12(16)5-9/h2-6,17-19H,7H2,1H3.
What are the key properties of 2,6-dibromo-4-[(3-hydroxy-4-methylanilino)methyl]phenol?
2,6-dibromo-4-[(3-hydroxy-4-methylanilino)methyl]phenol has a molecular weight of 387.07 g/mol, XLogP of 4.54, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[(3-hydroxy-4-methylanilino)methyl]phenol is sourced from PubChem (CID 107741199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).