N'-[(4-methoxyphenyl)methyl]prop-2-enimidamide

C11H14N2O — CID 166085735

IUPACN'-[(4-methoxyphenyl)methyl]prop-2-enimidamide
SMILESC=C/C(N)=N\Cc1ccc(OC)cc1
InChIInChI=1S/C11H14N2O/c1-3-11(12)13-8-9-4-6-10(14-2)7-5-9/h3-7H,1,8H2,2H3,(H2,12,13)
InChIKeyJNMXTGHLVIPWEM-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.74
Rot. Bonds4

About N'-[(4-methoxyphenyl)methyl]prop-2-enimidamide

N'-[(4-methoxyphenyl)methyl]prop-2-enimidamide (PubChem CID 166085735) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is N'-[(4-methoxyphenyl)methyl]prop-2-enimidamide.

Molecular Properties

Compound NameN'-[(4-methoxyphenyl)methyl]prop-2-enimidamide
PubChem CID166085735
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC NameN'-[(4-methoxyphenyl)methyl]prop-2-enimidamide
SMILESC=C/C(N)=N\Cc1ccc(OC)cc1
InChIInChI=1S/C11H14N2O/c1-3-11(12)13-8-9-4-6-10(14-2)7-5-9/h3-7H,1,8H2,2H3,(H2,12,13)
InChIKeyJNMXTGHLVIPWEM-UHFFFAOYSA-N
XLogP1.74
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.74
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-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]guanidine
CID 56956540
(Z)-hydroxyimino-[N'-[(4-methoxyphenyl)methyl]carbamimidoyl]-oxidoazanium
CID 135490639
(2Z)-N-[(4-methoxyphenyl)methyl]-3-methylpenta-2,4-dien-1-imine
CID 174328933
2-bromo-2,2-dichloro-N'-[(4-methoxyphenyl)methyl]ethanimidamide;hydrochloride
CID 12504699
1-cyano-2-[(4-methoxyphenyl)methyl]guanidine
CID 71332508
N'-[[N'-[(4-methoxyphenyl)methyl]carbamimidoyl]amino]carbamimidoyl chloride
CID 166825471
2-[(6-methoxynaphthalen-2-yl)methyl]guanidine;hydroiodide
CID 110884528
1-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1-methylguanidine
CID 110029396
1-(1-deuterioprop-2-enyl)-4-methoxybenzene
CID 131851779
2-[(4-bromophenyl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111753557
2-benzyl-1-(4-methoxyphenyl)guanidine
CID 100672982
N'-hydroxy-3-(4-methoxyphenyl)propanimidamide
CID 77069671

Frequently Asked Questions

What is the IUPAC name of N'-[(4-methoxyphenyl)methyl]prop-2-enimidamide?
The IUPAC name of N'-[(4-methoxyphenyl)methyl]prop-2-enimidamide (CID 166085735) is N'-[(4-methoxyphenyl)methyl]prop-2-enimidamide.
What is the SMILES notation for N'-[(4-methoxyphenyl)methyl]prop-2-enimidamide?
The canonical SMILES for N'-[(4-methoxyphenyl)methyl]prop-2-enimidamide is C=C/C(N)=N\Cc1ccc(OC)cc1.
What is the InChIKey of N'-[(4-methoxyphenyl)methyl]prop-2-enimidamide?
The InChIKey is JNMXTGHLVIPWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-3-11(12)13-8-9-4-6-10(14-2)7-5-9/h3-7H,1,8H2,2H3,(H2,12,13).
What are the key properties of N'-[(4-methoxyphenyl)methyl]prop-2-enimidamide?
N'-[(4-methoxyphenyl)methyl]prop-2-enimidamide has a molecular weight of 190.25 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-methoxyphenyl)methyl]prop-2-enimidamide is sourced from PubChem (CID 166085735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).