2-bromo-6-[[2-(methoxymethyl)anilino]methyl]phenol

C15H16BrNO2 — CID 61390986

IUPAC2-bromo-6-[[2-(methoxymethyl)anilino]methyl]phenol
SMILESCOCc1ccccc1NCc1cccc(Br)c1O
InChIInChI=1S/C15H16BrNO2/c1-19-10-12-5-2-3-8-14(12)17-9-11-6-4-7-13(16)15(11)18/h2-8,17-18H,9-10H2,1H3
InChIKeyKITGBWCATQDEAF-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.91
Rot. Bonds5

About 2-bromo-6-[[2-(methoxymethyl)anilino]methyl]phenol

2-bromo-6-[[2-(methoxymethyl)anilino]methyl]phenol (PubChem CID 61390986) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 2-bromo-6-[[2-(methoxymethyl)anilino]methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-[[2-(methoxymethyl)anilino]methyl]phenol
PubChem CID61390986
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name2-bromo-6-[[2-(methoxymethyl)anilino]methyl]phenol
SMILESCOCc1ccccc1NCc1cccc(Br)c1O
InChIInChI=1S/C15H16BrNO2/c1-19-10-12-5-2-3-8-14(12)17-9-11-6-4-7-13(16)15(11)18/h2-8,17-18H,9-10H2,1H3
InChIKeyKITGBWCATQDEAF-UHFFFAOYSA-N
XLogP3.91
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-6-[[2-(2-methoxyethyl)anilino]methyl]phenol
CID 102847681
2-bromo-6-[[2-(ethoxymethyl)anilino]methyl]phenol
CID 61391843
2-chloro-6-[[2-(methoxymethyl)anilino]methyl]phenol
CID 112553795
2-bromo-6-[(2-propan-2-ylanilino)methyl]phenol
CID 61390242
methyl 3-[(3-bromo-2-hydroxyphenyl)methylamino]-2-methylbenzoate
CID 61390835
2-bromo-6-[(3-iodo-2-methylanilino)methyl]phenol
CID 114256858
2-[(3-bromo-2-hydroxyphenyl)methylamino]benzonitrile
CID 61390093
2-(methoxymethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]aniline
CID 78885346
N-benzyl-2-(methoxymethyl)aniline
CID 43677932
N-[(2,6-dichlorophenyl)methyl]-2-(methoxymethyl)aniline
CID 43677929
3-[(3-bromo-2-hydroxyphenyl)methylamino]-2,6-dimethylphenol
CID 61391803
2-bromo-6-[[2-(trifluoromethylsulfanyl)anilino]methyl]phenol
CID 61390902

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[[2-(methoxymethyl)anilino]methyl]phenol?
The IUPAC name of 2-bromo-6-[[2-(methoxymethyl)anilino]methyl]phenol (CID 61390986) is 2-bromo-6-[[2-(methoxymethyl)anilino]methyl]phenol.
What is the SMILES notation for 2-bromo-6-[[2-(methoxymethyl)anilino]methyl]phenol?
The canonical SMILES for 2-bromo-6-[[2-(methoxymethyl)anilino]methyl]phenol is COCc1ccccc1NCc1cccc(Br)c1O.
What is the InChIKey of 2-bromo-6-[[2-(methoxymethyl)anilino]methyl]phenol?
The InChIKey is KITGBWCATQDEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-19-10-12-5-2-3-8-14(12)17-9-11-6-4-7-13(16)15(11)18/h2-8,17-18H,9-10H2,1H3.
What are the key properties of 2-bromo-6-[[2-(methoxymethyl)anilino]methyl]phenol?
2-bromo-6-[[2-(methoxymethyl)anilino]methyl]phenol has a molecular weight of 322.20 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[[2-(methoxymethyl)anilino]methyl]phenol is sourced from PubChem (CID 61390986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).