2-[N-[2-(2,5-dimethoxyphenyl)ethyl]-C-methylcarbonimidoyl]phenol

C18H21NO3 — CID 171084714

IUPAC2-[N-[2-(2,5-dimethoxyphenyl)ethyl]-C-methylcarbonimidoyl]phenol
SMILESCOc1ccc(OC)c(CC/N=C(\C)c2ccccc2O)c1
InChIInChI=1S/C18H21NO3/c1-13(16-6-4-5-7-17(16)20)19-11-10-14-12-15(21-2)8-9-18(14)22-3/h4-9,12,20H,10-11H2,1-3H3/b19-13+
InChIKeyIZMHHVSRSYEBIM-CPNJWEJPSA-N
MW299.37 g/mol
LogP3.46
Rot. Bonds6

About 2-[N-[2-(2,5-dimethoxyphenyl)ethyl]-C-methylcarbonimidoyl]phenol

2-[N-[2-(2,5-dimethoxyphenyl)ethyl]-C-methylcarbonimidoyl]phenol (PubChem CID 171084714) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[N-[2-(2,5-dimethoxyphenyl)ethyl]-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name2-[N-[2-(2,5-dimethoxyphenyl)ethyl]-C-methylcarbonimidoyl]phenol
PubChem CID171084714
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name2-[N-[2-(2,5-dimethoxyphenyl)ethyl]-C-methylcarbonimidoyl]phenol
SMILESCOc1ccc(OC)c(CC/N=C(\C)c2ccccc2O)c1
InChIInChI=1S/C18H21NO3/c1-13(16-6-4-5-7-17(16)20)19-11-10-14-12-15(21-2)8-9-18(14)22-3/h4-9,12,20H,10-11H2,1-3H3/b19-13+
InChIKeyIZMHHVSRSYEBIM-CPNJWEJPSA-N
XLogP3.46
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2,5-dimethoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111044459
2-[2-(2,5-dimethoxyphenyl)ethyl]-1-phenylguanidine
CID 110917300
1-cyano-2-[2-(2,5-dimethoxyphenyl)ethyl]guanidine
CID 142011662
2-[N-[(2-aminophenyl)methyl]-C-methylcarbonimidoyl]-5-methoxyphenol
CID 135997272
N'-[2-(2,5-dimethoxyphenyl)ethyl]thiomorpholine-4-carboximidamide
CID 111044480
2-[2-(2,5-dimethoxyphenyl)ethyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111044494
2-[(2,5-dimethoxyphenyl)methylsulfanyl]phenol
CID 62000126
2-[N-[4-(2,5-dimethoxyphenyl)-2-(2-methylprop-2-enylimino)-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]phenol
CID 135849922
(2,5-dimethoxyphenyl)methyl 2-chlorobenzoate
CID 60606971
2-(3-fluoropropyl)-1,4-dimethoxybenzene
CID 83938230
3-(2,5-dimethoxyphenyl)propanoyl chloride
CID 121219721
2-(3-bromobut-3-enyl)-1,4-dimethoxybenzene
CID 24721947

Frequently Asked Questions

What is the IUPAC name of 2-[N-[2-(2,5-dimethoxyphenyl)ethyl]-C-methylcarbonimidoyl]phenol?
The IUPAC name of 2-[N-[2-(2,5-dimethoxyphenyl)ethyl]-C-methylcarbonimidoyl]phenol (CID 171084714) is 2-[N-[2-(2,5-dimethoxyphenyl)ethyl]-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for 2-[N-[2-(2,5-dimethoxyphenyl)ethyl]-C-methylcarbonimidoyl]phenol?
The canonical SMILES for 2-[N-[2-(2,5-dimethoxyphenyl)ethyl]-C-methylcarbonimidoyl]phenol is COc1ccc(OC)c(CC/N=C(\C)c2ccccc2O)c1.
What is the InChIKey of 2-[N-[2-(2,5-dimethoxyphenyl)ethyl]-C-methylcarbonimidoyl]phenol?
The InChIKey is IZMHHVSRSYEBIM-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H21NO3/c1-13(16-6-4-5-7-17(16)20)19-11-10-14-12-15(21-2)8-9-18(14)22-3/h4-9,12,20H,10-11H2,1-3H3/b19-13+.
What are the key properties of 2-[N-[2-(2,5-dimethoxyphenyl)ethyl]-C-methylcarbonimidoyl]phenol?
2-[N-[2-(2,5-dimethoxyphenyl)ethyl]-C-methylcarbonimidoyl]phenol has a molecular weight of 299.37 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[2-(2,5-dimethoxyphenyl)ethyl]-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 171084714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).