[2-(ethoxymethyl)phenyl]methylcyanamide

C11H14N2O — CID 62481050

IUPAC[2-(ethoxymethyl)phenyl]methylcyanamide
SMILESCCOCc1ccccc1CNC#N
InChIInChI=1S/C11H14N2O/c1-2-14-8-11-6-4-3-5-10(11)7-13-9-12/h3-6,13H,2,7-8H2,1H3
InChIKeyVJXDYTNMJJBWAC-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.79
Rot. Bonds5

About [2-(ethoxymethyl)phenyl]methylcyanamide

[2-(ethoxymethyl)phenyl]methylcyanamide (PubChem CID 62481050) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is [2-(ethoxymethyl)phenyl]methylcyanamide.

Molecular Properties

Compound Name[2-(ethoxymethyl)phenyl]methylcyanamide
PubChem CID62481050
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name[2-(ethoxymethyl)phenyl]methylcyanamide
SMILESCCOCc1ccccc1CNC#N
InChIInChI=1S/C11H14N2O/c1-2-14-8-11-6-4-3-5-10(11)7-13-9-12/h3-6,13H,2,7-8H2,1H3
InChIKeyVJXDYTNMJJBWAC-UHFFFAOYSA-N
XLogP1.79
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

2-[[[2-(ethoxymethyl)phenyl]methylamino]methyl]-3,3,3-trifluoropropanenitrile
CID 103367080
[2-(aminomethyl)phenyl]methylcyanamide
CID 139669460
4-[[2-(ethoxymethyl)phenyl]methylamino]-2-methylbenzonitrile
CID 81269742
N-[[2-(ethoxymethyl)phenyl]methyl]-2,6-dimethylheptan-4-amine
CID 63448148
2-amino-3-[[2-(ethoxymethyl)phenyl]methylamino]propanamide
CID 103240297
ethyl 2-[[2-(ethoxymethyl)phenyl]methylamino]acetate
CID 60923273
2-[[2-(ethoxymethyl)phenyl]methylamino]-N-methylacetamide
CID 54861824
N-[[2-(2-ethoxyethoxymethyl)phenyl]methyl]propan-2-amine
CID 62444314
N-[[2-(ethoxymethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)methanamine
CID 60753165
N-[[2-(ethoxymethyl)phenyl]methyl]oxan-4-amine
CID 54861796
N-[[2-(ethoxymethyl)phenyl]methyl]-2,2-diphenylacetamide
CID 55599193
4-N-[[2-(ethoxymethyl)phenyl]methyl]cyclohexane-1,4-diamine
CID 79730790

Frequently Asked Questions

What is the IUPAC name of [2-(ethoxymethyl)phenyl]methylcyanamide?
The IUPAC name of [2-(ethoxymethyl)phenyl]methylcyanamide (CID 62481050) is [2-(ethoxymethyl)phenyl]methylcyanamide.
What is the SMILES notation for [2-(ethoxymethyl)phenyl]methylcyanamide?
The canonical SMILES for [2-(ethoxymethyl)phenyl]methylcyanamide is CCOCc1ccccc1CNC#N.
What is the InChIKey of [2-(ethoxymethyl)phenyl]methylcyanamide?
The InChIKey is VJXDYTNMJJBWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-2-14-8-11-6-4-3-5-10(11)7-13-9-12/h3-6,13H,2,7-8H2,1H3.
What are the key properties of [2-(ethoxymethyl)phenyl]methylcyanamide?
[2-(ethoxymethyl)phenyl]methylcyanamide has a molecular weight of 190.25 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxymethyl)phenyl]methylcyanamide is sourced from PubChem (CID 62481050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).