2-[(dimethylamino)methyl]-6-methoxy-4-[(2-phenylhydrazinyl)methyl]phenol

C17H23N3O2 — CID 169384588

IUPAC2-[(dimethylamino)methyl]-6-methoxy-4-[(2-phenylhydrazinyl)methyl]phenol
SMILESCOc1cc(CNNc2ccccc2)cc(CN(C)C)c1O
InChIInChI=1S/C17H23N3O2/c1-20(2)12-14-9-13(10-16(22-3)17(14)21)11-18-19-15-7-5-4-6-8-15/h4-10,18-19,21H,11-12H2,1-3H3
InChIKeyCAVNEYRCFPVVNI-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.58
Rot. Bonds7

About 2-[(dimethylamino)methyl]-6-methoxy-4-[(2-phenylhydrazinyl)methyl]phenol

2-[(dimethylamino)methyl]-6-methoxy-4-[(2-phenylhydrazinyl)methyl]phenol (PubChem CID 169384588) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-6-methoxy-4-[(2-phenylhydrazinyl)methyl]phenol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-6-methoxy-4-[(2-phenylhydrazinyl)methyl]phenol
PubChem CID169384588
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-[(dimethylamino)methyl]-6-methoxy-4-[(2-phenylhydrazinyl)methyl]phenol
SMILESCOc1cc(CNNc2ccccc2)cc(CN(C)C)c1O
InChIInChI=1S/C17H23N3O2/c1-20(2)12-14-9-13(10-16(22-3)17(14)21)11-18-19-15-7-5-4-6-8-15/h4-10,18-19,21H,11-12H2,1-3H3
InChIKeyCAVNEYRCFPVVNI-UHFFFAOYSA-N
XLogP2.58
TPSA56.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-6-[(2-phenylhydrazinyl)methyl]-4-propan-2-ylphenol
CID 169385201
1-[(3,4-dimethoxy-5-phenylmethoxyphenyl)methyl]-2-phenylhydrazine
CID 169386843
2-[2,6-dimethoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]acetic acid
CID 169385803
2-[(dimethylamino)methyl]-6-methoxy-4-prop-2-enylphenol
CID 12032541
4-[(dimethylamino)methyl]-2,6-dimethoxyphenol
CID 10066574
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-phenylhydrazine
CID 169384519
1-[(2,4-dimethoxyphenyl)methyl]-2-phenylhydrazine
CID 169384267
1-[(2,5-dimethoxyphenyl)methyl]-2-phenylhydrazine
CID 169384341
[2-bromo-6-methoxy-4-[(2-phenylhydrazinyl)methyl]phenyl] benzoate
CID 169386305
1-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylhydrazine
CID 169386081
2,6-dimethoxy-4-[[(2-methylphenyl)methylamino]methyl]phenol
CID 60657941
methyl 2-[2-bromo-6-methoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]propanoate
CID 169386451

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-6-methoxy-4-[(2-phenylhydrazinyl)methyl]phenol?
The IUPAC name of 2-[(dimethylamino)methyl]-6-methoxy-4-[(2-phenylhydrazinyl)methyl]phenol (CID 169384588) is 2-[(dimethylamino)methyl]-6-methoxy-4-[(2-phenylhydrazinyl)methyl]phenol.
What is the SMILES notation for 2-[(dimethylamino)methyl]-6-methoxy-4-[(2-phenylhydrazinyl)methyl]phenol?
The canonical SMILES for 2-[(dimethylamino)methyl]-6-methoxy-4-[(2-phenylhydrazinyl)methyl]phenol is COc1cc(CNNc2ccccc2)cc(CN(C)C)c1O.
What is the InChIKey of 2-[(dimethylamino)methyl]-6-methoxy-4-[(2-phenylhydrazinyl)methyl]phenol?
The InChIKey is CAVNEYRCFPVVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-20(2)12-14-9-13(10-16(22-3)17(14)21)11-18-19-15-7-5-4-6-8-15/h4-10,18-19,21H,11-12H2,1-3H3.
What are the key properties of 2-[(dimethylamino)methyl]-6-methoxy-4-[(2-phenylhydrazinyl)methyl]phenol?
2-[(dimethylamino)methyl]-6-methoxy-4-[(2-phenylhydrazinyl)methyl]phenol has a molecular weight of 301.39 g/mol, XLogP of 2.58, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-6-methoxy-4-[(2-phenylhydrazinyl)methyl]phenol is sourced from PubChem (CID 169384588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).