N'-[2-(2-methoxyphenyl)ethyl]propanimidamide

C12H18N2O — CID 106262572

IUPACN'-[2-(2-methoxyphenyl)ethyl]propanimidamide
SMILESCC/C(N)=N\CCc1ccccc1OC
InChIInChI=1S/C12H18N2O/c1-3-12(13)14-9-8-10-6-4-5-7-11(10)15-2/h4-7H,3,8-9H2,1-2H3,(H2,13,14)
InChIKeyDZBQUMNCQLQBDZ-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.00
Rot. Bonds5

About N'-[2-(2-methoxyphenyl)ethyl]propanimidamide

N'-[2-(2-methoxyphenyl)ethyl]propanimidamide (PubChem CID 106262572) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N'-[2-(2-methoxyphenyl)ethyl]propanimidamide.

Molecular Properties

Compound NameN'-[2-(2-methoxyphenyl)ethyl]propanimidamide
PubChem CID106262572
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN'-[2-(2-methoxyphenyl)ethyl]propanimidamide
SMILESCC/C(N)=N\CCc1ccccc1OC
InChIInChI=1S/C12H18N2O/c1-3-12(13)14-9-8-10-6-4-5-7-11(10)15-2/h4-7H,3,8-9H2,1-2H3,(H2,13,14)
InChIKeyDZBQUMNCQLQBDZ-UHFFFAOYSA-N
XLogP2.00
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.00
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'-[2-(2-methoxyphenyl)ethyl]cyclopropanecarboximidamide
CID 106262569
1-(diaminomethylidene)-2-[2-(2-methoxyphenyl)ethyl]guanidine
CID 114165563
2-(2-methoxyphenyl)-N'-propylethanimidamide
CID 62049614
1,3-diethyl-2-[2-(2-methoxyphenyl)ethyl]guanidine
CID 110913748
1,3-diethyl-2-[2-(2-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 110913747
2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 12626553
1-ethyl-2-[2-(2-methoxyphenyl)ethyl]-3-prop-2-ynylguanidine
CID 136922921
2-[2-(2-methoxyphenyl)ethyl]phenol
CID 10775715
1-amino-3-cyclopentyl-2-[2-(2-methoxyphenyl)ethyl]guanidine
CID 106262763
ethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene
CID 91290457
4-acetyl-N-ethyl-N'-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboximidamide
CID 110963439
1-methoxy-2-[(3R)-3-methylpentyl]benzene
CID 142086575

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-methoxyphenyl)ethyl]propanimidamide?
The IUPAC name of N'-[2-(2-methoxyphenyl)ethyl]propanimidamide (CID 106262572) is N'-[2-(2-methoxyphenyl)ethyl]propanimidamide.
What is the SMILES notation for N'-[2-(2-methoxyphenyl)ethyl]propanimidamide?
The canonical SMILES for N'-[2-(2-methoxyphenyl)ethyl]propanimidamide is CC/C(N)=N\CCc1ccccc1OC.
What is the InChIKey of N'-[2-(2-methoxyphenyl)ethyl]propanimidamide?
The InChIKey is DZBQUMNCQLQBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-12(13)14-9-8-10-6-4-5-7-11(10)15-2/h4-7H,3,8-9H2,1-2H3,(H2,13,14).
What are the key properties of N'-[2-(2-methoxyphenyl)ethyl]propanimidamide?
N'-[2-(2-methoxyphenyl)ethyl]propanimidamide has a molecular weight of 206.29 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-methoxyphenyl)ethyl]propanimidamide is sourced from PubChem (CID 106262572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).