2-[N-[(2-aminophenyl)methyl]-C-methylcarbonimidoyl]-5-methoxyphenol

C16H18N2O2 — CID 135997272

IUPAC2-[N-[(2-aminophenyl)methyl]-C-methylcarbonimidoyl]-5-methoxyphenol
SMILESCOc1ccc(/C(C)=N/Cc2ccccc2N)c(O)c1
InChIInChI=1S/C16H18N2O2/c1-11(14-8-7-13(20-2)9-16(14)19)18-10-12-5-3-4-6-15(12)17/h3-9,19H,10,17H2,1-2H3/b18-11+
InChIKeyKMZPMUGGENXZLG-WOJGMQOQSA-N
MW270.33 g/mol
LogP2.99
Rot. Bonds4

About 2-[N-[(2-aminophenyl)methyl]-C-methylcarbonimidoyl]-5-methoxyphenol

2-[N-[(2-aminophenyl)methyl]-C-methylcarbonimidoyl]-5-methoxyphenol (PubChem CID 135997272) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[N-[(2-aminophenyl)methyl]-C-methylcarbonimidoyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[N-[(2-aminophenyl)methyl]-C-methylcarbonimidoyl]-5-methoxyphenol
PubChem CID135997272
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-[N-[(2-aminophenyl)methyl]-C-methylcarbonimidoyl]-5-methoxyphenol
SMILESCOc1ccc(/C(C)=N/Cc2ccccc2N)c(O)c1
InChIInChI=1S/C16H18N2O2/c1-11(14-8-7-13(20-2)9-16(14)19)18-10-12-5-3-4-6-15(12)17/h3-9,19H,10,17H2,1-2H3/b18-11+
InChIKeyKMZPMUGGENXZLG-WOJGMQOQSA-N
XLogP2.99
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methoxyphenol
CID 137082808
2-(N-ethyl-C-phenylcarbonimidoyl)-5-methoxyphenol
CID 136832737
2-[N-[2-(2,5-dimethoxyphenyl)ethyl]-C-methylcarbonimidoyl]phenol
CID 171084714
5-methoxy-2-[(E)-C-methyl-N-[2-(trifluoromethyl)anilino]carbonimidoyl]phenol
CID 135614035
N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]acetamide
CID 135767611
(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 8569
N-[1-(2-aminophenyl)ethyl]-2-hydroxy-4-methoxybenzamide
CID 43297787
1-[2-(2-hydroxy-4-methoxybenzoyl)phenyl]ethanone
CID 96559735
1-ethyl-3-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]thiourea
CID 135751899
2-hydroxy-4-methoxy-N-[(Z)-1-phenylethylideneamino]benzamide
CID 126396445
5-methoxy-2-(1-phenylethenyl)phenol
CID 11064138
5-methoxy-2-[[(2-methylphenyl)methylamino]methyl]phenol
CID 61262143

Frequently Asked Questions

What is the IUPAC name of 2-[N-[(2-aminophenyl)methyl]-C-methylcarbonimidoyl]-5-methoxyphenol?
The IUPAC name of 2-[N-[(2-aminophenyl)methyl]-C-methylcarbonimidoyl]-5-methoxyphenol (CID 135997272) is 2-[N-[(2-aminophenyl)methyl]-C-methylcarbonimidoyl]-5-methoxyphenol.
What is the SMILES notation for 2-[N-[(2-aminophenyl)methyl]-C-methylcarbonimidoyl]-5-methoxyphenol?
The canonical SMILES for 2-[N-[(2-aminophenyl)methyl]-C-methylcarbonimidoyl]-5-methoxyphenol is COc1ccc(/C(C)=N/Cc2ccccc2N)c(O)c1.
What is the InChIKey of 2-[N-[(2-aminophenyl)methyl]-C-methylcarbonimidoyl]-5-methoxyphenol?
The InChIKey is KMZPMUGGENXZLG-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11(14-8-7-13(20-2)9-16(14)19)18-10-12-5-3-4-6-15(12)17/h3-9,19H,10,17H2,1-2H3/b18-11+.
What are the key properties of 2-[N-[(2-aminophenyl)methyl]-C-methylcarbonimidoyl]-5-methoxyphenol?
2-[N-[(2-aminophenyl)methyl]-C-methylcarbonimidoyl]-5-methoxyphenol has a molecular weight of 270.33 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[(2-aminophenyl)methyl]-C-methylcarbonimidoyl]-5-methoxyphenol is sourced from PubChem (CID 135997272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).