2-(2-methoxyphenyl)-N'-propylethanimidamide

C12H18N2O — CID 62049614

IUPAC2-(2-methoxyphenyl)-N'-propylethanimidamide
SMILESCCC/N=C(\N)Cc1ccccc1OC
InChIInChI=1S/C12H18N2O/c1-3-8-14-12(13)9-10-6-4-5-7-11(10)15-2/h4-7H,3,8-9H2,1-2H3,(H2,13,14)
InChIKeySNYHZSWFMWLWIF-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.00
Rot. Bonds5

About 2-(2-methoxyphenyl)-N'-propylethanimidamide

2-(2-methoxyphenyl)-N'-propylethanimidamide (PubChem CID 62049614) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N'-propylethanimidamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N'-propylethanimidamide
PubChem CID62049614
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-(2-methoxyphenyl)-N'-propylethanimidamide
SMILESCCC/N=C(\N)Cc1ccccc1OC
InChIInChI=1S/C12H18N2O/c1-3-8-14-12(13)9-10-6-4-5-7-11(10)15-2/h4-7H,3,8-9H2,1-2H3,(H2,13,14)
InChIKeySNYHZSWFMWLWIF-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]propanimidamide
CID 106262572
1-(2-methoxyphenyl)-2-propylguanidine
CID 62381067
3-ethyl-1-[(2-methoxyphenyl)methyl]-1-methyl-2-propylguanidine;hydroiodide
CID 111282326
1-(diaminomethylidene)-2-[2-(2-methoxyphenyl)ethyl]guanidine
CID 114165563
(NZ)-N-[1-(2-methoxyphenyl)propan-2-ylidene]hydroxylamine
CID 5368511
N-[1-(2-methoxyphenyl)propan-2-ylidene]hydroxylamine
CID 562770
N'-[2-(2-methoxyphenyl)ethyl]cyclopropanecarboximidamide
CID 106262569
(2-(111C)methoxyphenyl)methanol
CID 59897789
2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 12626553
1,3-diethyl-2-[2-(2-methoxyphenyl)ethyl]guanidine
CID 110913748
1,3-diethyl-2-[2-(2-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 110913747
1-(2-chloroprop-2-enyl)-2-methoxybenzene
CID 24721826

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N'-propylethanimidamide?
The IUPAC name of 2-(2-methoxyphenyl)-N'-propylethanimidamide (CID 62049614) is 2-(2-methoxyphenyl)-N'-propylethanimidamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-N'-propylethanimidamide?
The canonical SMILES for 2-(2-methoxyphenyl)-N'-propylethanimidamide is CCC/N=C(\N)Cc1ccccc1OC.
What is the InChIKey of 2-(2-methoxyphenyl)-N'-propylethanimidamide?
The InChIKey is SNYHZSWFMWLWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-8-14-12(13)9-10-6-4-5-7-11(10)15-2/h4-7H,3,8-9H2,1-2H3,(H2,13,14).
What are the key properties of 2-(2-methoxyphenyl)-N'-propylethanimidamide?
2-(2-methoxyphenyl)-N'-propylethanimidamide 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 2-(2-methoxyphenyl)-N'-propylethanimidamide is sourced from PubChem (CID 62049614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).