2-(2-methoxy-5-propan-2-ylphenyl)ethyl-methylcyanamide

C14H20N2O — CID 117043469

IUPAC2-(2-methoxy-5-propan-2-ylphenyl)ethyl-methylcyanamide
SMILESCOc1ccc(C(C)C)cc1CCN(C)C#N
InChIInChI=1S/C14H20N2O/c1-11(2)12-5-6-14(17-4)13(9-12)7-8-16(3)10-15/h5-6,9,11H,7-8H2,1-4H3
InChIKeyBZOMLTMOAHALOH-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.77
Rot. Bonds5

About 2-(2-methoxy-5-propan-2-ylphenyl)ethyl-methylcyanamide

2-(2-methoxy-5-propan-2-ylphenyl)ethyl-methylcyanamide (PubChem CID 117043469) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-(2-methoxy-5-propan-2-ylphenyl)ethyl-methylcyanamide.

Molecular Properties

Compound Name2-(2-methoxy-5-propan-2-ylphenyl)ethyl-methylcyanamide
PubChem CID117043469
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-(2-methoxy-5-propan-2-ylphenyl)ethyl-methylcyanamide
SMILESCOc1ccc(C(C)C)cc1CCN(C)C#N
InChIInChI=1S/C14H20N2O/c1-11(2)12-5-6-14(17-4)13(9-12)7-8-16(3)10-15/h5-6,9,11H,7-8H2,1-4H3
InChIKeyBZOMLTMOAHALOH-UHFFFAOYSA-N
XLogP2.77
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.77
H-Bond Donors ≤ 50
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-methoxy-5-propan-2-ylphenyl)-N,N-dimethylethanamine
CID 117043743
2-(2,5-dimethoxyphenyl)ethyl-methylcyanamide
CID 117043452
N-(bromomethyl)-2-(2-methoxy-5-propan-2-ylphenyl)-N-methylethanamine
CID 115262362
N-(hydrazinylmethyl)-2-(2-methoxy-5-propan-2-ylphenyl)-N-methylethanamine
CID 115261259
2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylcyanamide
CID 117043513
2-(2,4-dimethoxy-3-methylphenyl)ethyl-methylcyanamide
CID 117043515
2-[(2-methoxy-5-propan-2-ylphenyl)methyl]butanenitrile
CID 116931504
2-(2,5-dimethoxy-3,4-dimethylphenyl)ethyl-methylcyanamide
CID 117043597
2-(2,5-difluoro-4-methoxyphenyl)ethyl-methylcyanamide
CID 117043560
N-(bromomethyl)-2-(2-methoxy-4-propan-2-ylphenyl)-N-methylethanamine
CID 115262400
N-methyl-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propan-2-amine
CID 117044196
1-[2-(2-methoxy-4-propan-2-ylphenyl)ethyl-methylamino]propan-2-one
CID 115235168

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-propan-2-ylphenyl)ethyl-methylcyanamide?
The IUPAC name of 2-(2-methoxy-5-propan-2-ylphenyl)ethyl-methylcyanamide (CID 117043469) is 2-(2-methoxy-5-propan-2-ylphenyl)ethyl-methylcyanamide.
What is the SMILES notation for 2-(2-methoxy-5-propan-2-ylphenyl)ethyl-methylcyanamide?
The canonical SMILES for 2-(2-methoxy-5-propan-2-ylphenyl)ethyl-methylcyanamide is COc1ccc(C(C)C)cc1CCN(C)C#N.
What is the InChIKey of 2-(2-methoxy-5-propan-2-ylphenyl)ethyl-methylcyanamide?
The InChIKey is BZOMLTMOAHALOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11(2)12-5-6-14(17-4)13(9-12)7-8-16(3)10-15/h5-6,9,11H,7-8H2,1-4H3.
What are the key properties of 2-(2-methoxy-5-propan-2-ylphenyl)ethyl-methylcyanamide?
2-(2-methoxy-5-propan-2-ylphenyl)ethyl-methylcyanamide has a molecular weight of 232.33 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-propan-2-ylphenyl)ethyl-methylcyanamide is sourced from PubChem (CID 117043469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).