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

C14H13Br2NO — CID 56680180

IUPAC2,4-dibromo-6-[(4-methylanilino)methyl]phenol
SMILESCc1ccc(NCc2cc(Br)cc(Br)c2O)cc1
InChIInChI=1S/C14H13Br2NO/c1-9-2-4-12(5-3-9)17-8-10-6-11(15)7-13(16)14(10)18/h2-7,17-18H,8H2,1H3
InChIKeyBTCXYBANGDKBPG-UHFFFAOYSA-N
MW371.07 g/mol
LogP4.84
Rot. Bonds3

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

2,4-dibromo-6-[(4-methylanilino)methyl]phenol (PubChem CID 56680180) has the molecular formula C14H13Br2NO and a molecular weight of 371.07 g/mol. Its IUPAC name is 2,4-dibromo-6-[(4-methylanilino)methyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[(4-methylanilino)methyl]phenol
PubChem CID56680180
Molecular FormulaC14H13Br2NO
Molecular Weight371.07 g/mol
Exact Mass368.94
IUPAC Name2,4-dibromo-6-[(4-methylanilino)methyl]phenol
SMILESCc1ccc(NCc2cc(Br)cc(Br)c2O)cc1
InChIInChI=1S/C14H13Br2NO/c1-9-2-4-12(5-3-9)17-8-10-6-11(15)7-13(16)14(10)18/h2-7,17-18H,8H2,1H3
InChIKeyBTCXYBANGDKBPG-UHFFFAOYSA-N
XLogP4.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.07
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

Alpha-(para-toluidino)-ortho-cresol
CID 4114014
1-(2-Bromophenyl)-1-[(3,5-dibromo-2-hydroxyphenyl)methyl]-3-phenylurea
CID 56663546
1-[(3,5-Dibromo-2-hydroxyphenyl)methyl]-1-(4-methylphenyl)-3-phenylurea
CID 56663547
1-[(3,5-Dibromo-2-hydroxyphenyl)methyl]-1-(4-fluorophenyl)-3-phenylurea
CID 56666994
1-[(3,5-Dibromo-2-hydroxyphenyl)methyl]-1-(2-fluorophenyl)-3-phenylurea
CID 56676859
1-(4-Bromophenyl)-1-[(3,5-dibromo-2-hydroxyphenyl)methyl]-3-phenylurea
CID 56680562
2-[Benzyl(methyl)amino]-4,6-dibromo-phenol
CID 52933281
4-Bromo-2-((4-methoxyanilino)methyl)phenol
CID 5017914
4-[(E)-2-(4-aminophenyl)ethenyl]-2,6-dibromophenol
CID 45258135
4-[(3,5-Dibromo-2-hydroxyphenyl)methylamino]benzenesulfonamide
CID 127027097
2-[(4-Bromoanilino)methyl]-6-prop-2-enylphenol
CID 753626
3,5-Dibromo-2-hydroxybenzaldehyde methyl(phenyl)hydrazone
CID 135458878

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[(4-methylanilino)methyl]phenol?
The IUPAC name of 2,4-dibromo-6-[(4-methylanilino)methyl]phenol (CID 56680180) is 2,4-dibromo-6-[(4-methylanilino)methyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[(4-methylanilino)methyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[(4-methylanilino)methyl]phenol is Cc1ccc(NCc2cc(Br)cc(Br)c2O)cc1.
What is the InChIKey of 2,4-dibromo-6-[(4-methylanilino)methyl]phenol?
The InChIKey is BTCXYBANGDKBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO/c1-9-2-4-12(5-3-9)17-8-10-6-11(15)7-13(16)14(10)18/h2-7,17-18H,8H2,1H3.
What are the key properties of 2,4-dibromo-6-[(4-methylanilino)methyl]phenol?
2,4-dibromo-6-[(4-methylanilino)methyl]phenol has a molecular weight of 371.07 g/mol, XLogP of 4.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-[(4-methylanilino)methyl]phenol is sourced from PubChem (CID 56680180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).