2-bromo-6-[(4-bromo-2-methylanilino)methyl]phenol

C14H13Br2NO — CID 61390276

IUPAC2-bromo-6-[(4-bromo-2-methylanilino)methyl]phenol
SMILESCc1cc(Br)ccc1NCc1cccc(Br)c1O
InChIInChI=1S/C14H13Br2NO/c1-9-7-11(15)5-6-13(9)17-8-10-3-2-4-12(16)14(10)18/h2-7,17-18H,8H2,1H3
InChIKeyPCFSUQNRSDLCNN-UHFFFAOYSA-N
MW371.07 g/mol
LogP4.84
Rot. Bonds3

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

2-bromo-6-[(4-bromo-2-methylanilino)methyl]phenol (PubChem CID 61390276) has the molecular formula C14H13Br2NO and a molecular weight of 371.07 g/mol. Its IUPAC name is 2-bromo-6-[(4-bromo-2-methylanilino)methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-[(4-bromo-2-methylanilino)methyl]phenol
PubChem CID61390276
Molecular FormulaC14H13Br2NO
Molecular Weight371.07 g/mol
Exact Mass368.94
IUPAC Name2-bromo-6-[(4-bromo-2-methylanilino)methyl]phenol
SMILESCc1cc(Br)ccc1NCc1cccc(Br)c1O
InChIInChI=1S/C14H13Br2NO/c1-9-7-11(15)5-6-13(9)17-8-10-3-2-4-12(16)14(10)18/h2-7,17-18H,8H2,1H3
InChIKeyPCFSUQNRSDLCNN-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

3-[(3-bromo-2-hydroxyphenyl)methylamino]-2,6-dimethylphenol
CID 61391803
2-bromo-6-[(5-bromo-2-chloroanilino)methyl]phenol
CID 63477386
2-bromo-6-[(2,5-dimethylanilino)methyl]phenol
CID 61390137
2-[2-[(4-bromo-2-methylanilino)methyl]phenyl]acetic acid
CID 115461411
2-bromo-6-[[(6-bromo-2-methyl-3-pyridinyl)amino]methyl]phenol
CID 104599949
2-bromo-6-[(3-bromo-4-methylanilino)methyl]phenol
CID 63333631
2-bromo-6-[(2-fluoro-5-methylanilino)methyl]phenol
CID 61390509
2-[(4-bromo-2-methylanilino)methyl]benzamide
CID 28572427
5-bromo-2-[(2-hydroxy-3-methylphenyl)methylamino]benzonitrile
CID 112607164
3-[(3-bromo-2-hydroxyphenyl)methylamino]-4-methylbenzoic acid
CID 61391463
2-bromo-6-[(3-iodo-2-methylanilino)methyl]phenol
CID 114256858
2-chloro-6-[(2,4-dibromoanilino)methyl]phenol
CID 112606455

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(4-bromo-2-methylanilino)methyl]phenol?
The IUPAC name of 2-bromo-6-[(4-bromo-2-methylanilino)methyl]phenol (CID 61390276) is 2-bromo-6-[(4-bromo-2-methylanilino)methyl]phenol.
What is the SMILES notation for 2-bromo-6-[(4-bromo-2-methylanilino)methyl]phenol?
The canonical SMILES for 2-bromo-6-[(4-bromo-2-methylanilino)methyl]phenol is Cc1cc(Br)ccc1NCc1cccc(Br)c1O.
What is the InChIKey of 2-bromo-6-[(4-bromo-2-methylanilino)methyl]phenol?
The InChIKey is PCFSUQNRSDLCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO/c1-9-7-11(15)5-6-13(9)17-8-10-3-2-4-12(16)14(10)18/h2-7,17-18H,8H2,1H3.
What are the key properties of 2-bromo-6-[(4-bromo-2-methylanilino)methyl]phenol?
2-bromo-6-[(4-bromo-2-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-bromo-6-[(4-bromo-2-methylanilino)methyl]phenol is sourced from PubChem (CID 61390276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).