N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanimidamide

C14H22N2O — CID 114009617

IUPACN'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanimidamide
SMILESCOc1cccc(CC/N=C(\N)C(C)(C)C)c1
InChIInChI=1S/C14H22N2O/c1-14(2,3)13(15)16-9-8-11-6-5-7-12(10-11)17-4/h5-7,10H,8-9H2,1-4H3,(H2,15,16)
InChIKeyCNMNXBXWYPKNIG-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.64
Rot. Bonds4

About N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanimidamide

N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanimidamide (PubChem CID 114009617) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanimidamide.

Molecular Properties

Compound NameN'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanimidamide
PubChem CID114009617
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanimidamide
SMILESCOc1cccc(CC/N=C(\N)C(C)(C)C)c1
InChIInChI=1S/C14H22N2O/c1-14(2,3)13(15)16-9-8-11-6-5-7-12(10-11)17-4/h5-7,10H,8-9H2,1-4H3,(H2,15,16)
InChIKeyCNMNXBXWYPKNIG-UHFFFAOYSA-N
XLogP2.64
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-ethylphenyl)-2-[2-(3-methoxyphenyl)ethyl]guanidine
CID 111046944
1-butan-2-yl-2-[2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 110920131
1-amino-2-[2-(3-methoxyphenyl)ethyl]-3-propan-2-ylguanidine
CID 114009531
2-[2-(3-methoxyphenyl)ethyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111046942
1-(3,4-dimethoxyphenyl)-2-[2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111046945
2-[2-(3-methoxyphenyl)ethyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111046969
1-ethyl-3-[2-(3-methoxyphenyl)ethyl]-2-(2-phenylethyl)guanidine
CID 111134069
2-[2-(3-chlorophenyl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111031316
2-[2-(3-methoxyphenyl)ethylamino]guanidine
CID 95440152
2-amino-N-[2-(3-methoxyphenyl)ethyl]-2-methylbutanamide
CID 107842874
1-tert-butyl-2-[(3-methoxyphenyl)methyl]guanidine;hydroiodide
CID 110912175
2-(3-methoxyphenyl)ethanamine;tetrabromoplumbane
CID 175411262

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanimidamide?
The IUPAC name of N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanimidamide (CID 114009617) is N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanimidamide.
What is the SMILES notation for N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanimidamide?
The canonical SMILES for N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanimidamide is COc1cccc(CC/N=C(\N)C(C)(C)C)c1.
What is the InChIKey of N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanimidamide?
The InChIKey is CNMNXBXWYPKNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-14(2,3)13(15)16-9-8-11-6-5-7-12(10-11)17-4/h5-7,10H,8-9H2,1-4H3,(H2,15,16).
What are the key properties of N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanimidamide?
N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanimidamide has a molecular weight of 234.34 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanimidamide is sourced from PubChem (CID 114009617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).