N'-cyclopropyl-2-(3-methoxyphenyl)ethanimidamide

C12H16N2O — CID 63181471

IUPACN'-cyclopropyl-2-(3-methoxyphenyl)ethanimidamide
SMILESCOc1cccc(C/C(N)=N/C2CC2)c1
InChIInChI=1S/C12H16N2O/c1-15-11-4-2-3-9(7-11)8-12(13)14-10-5-6-10/h2-4,7,10H,5-6,8H2,1H3,(H2,13,14)
InChIKeyOOANVZCCDJUKRO-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.76
Rot. Bonds4

About N'-cyclopropyl-2-(3-methoxyphenyl)ethanimidamide

N'-cyclopropyl-2-(3-methoxyphenyl)ethanimidamide (PubChem CID 63181471) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N'-cyclopropyl-2-(3-methoxyphenyl)ethanimidamide.

Molecular Properties

Compound NameN'-cyclopropyl-2-(3-methoxyphenyl)ethanimidamide
PubChem CID63181471
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN'-cyclopropyl-2-(3-methoxyphenyl)ethanimidamide
SMILESCOc1cccc(C/C(N)=N/C2CC2)c1
InChIInChI=1S/C12H16N2O/c1-15-11-4-2-3-9(7-11)8-12(13)14-10-5-6-10/h2-4,7,10H,5-6,8H2,1H3,(H2,13,14)
InChIKeyOOANVZCCDJUKRO-UHFFFAOYSA-N
XLogP1.76
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.76
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

N'-hydroxy-2-(3-methoxyphenyl)ethanimidamide
CID 4601584
N'-hydroxy-2-(3-methoxyphenyl)ethanimidamide;hydrochloride
CID 57368856
2-cyclopropyl-1-(3-methoxyphenyl)-1-methylguanidine
CID 62362147
N'-hydroxy-1-[2-(3-methoxyphenyl)acetyl]piperidine-4-carboximidamide
CID 77039394
acetamide;2-(3-methoxyphenyl)acetyl chloride
CID 158389550
1-[2-(aminomethyl)cyclohexyl]-2-(3-methoxyphenyl)ethanone
CID 116584559
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
2-(3-methoxyphenyl)-N-[4-(methylamino)cyclohexyl]acetamide
CID 43653164
(3-methoxyphenyl)(113C)methanol
CID 11593446
(2R,5S)-2,5-bis[2-(3-methoxyphenyl)ethyl]pyrrolidine
CID 71624271
1-cyclohexyl-3-(3-methoxyphenyl)propan-2-one
CID 61077701
N-[2-(hydroxymethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide
CID 103798501

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-2-(3-methoxyphenyl)ethanimidamide?
The IUPAC name of N'-cyclopropyl-2-(3-methoxyphenyl)ethanimidamide (CID 63181471) is N'-cyclopropyl-2-(3-methoxyphenyl)ethanimidamide.
What is the SMILES notation for N'-cyclopropyl-2-(3-methoxyphenyl)ethanimidamide?
The canonical SMILES for N'-cyclopropyl-2-(3-methoxyphenyl)ethanimidamide is COc1cccc(C/C(N)=N/C2CC2)c1.
What is the InChIKey of N'-cyclopropyl-2-(3-methoxyphenyl)ethanimidamide?
The InChIKey is OOANVZCCDJUKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-15-11-4-2-3-9(7-11)8-12(13)14-10-5-6-10/h2-4,7,10H,5-6,8H2,1H3,(H2,13,14).
What are the key properties of N'-cyclopropyl-2-(3-methoxyphenyl)ethanimidamide?
N'-cyclopropyl-2-(3-methoxyphenyl)ethanimidamide has a molecular weight of 204.27 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-2-(3-methoxyphenyl)ethanimidamide is sourced from PubChem (CID 63181471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).