N'-[(4-methoxyphenyl)methyl]-N-(methylideneamino)methanimidamide

C10H13N3O — CID 142987862

IUPACN'-[(4-methoxyphenyl)methyl]-N-(methylideneamino)methanimidamide
SMILESC=NN/C=N/Cc1ccc(OC)cc1
InChIInChI=1S/C10H13N3O/c1-11-13-8-12-7-9-3-5-10(14-2)6-4-9/h3-6,8H,1,7H2,2H3,(H,12,13)
InChIKeyFJQKSSICEAGPST-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.43
Rot. Bonds5

About N'-[(4-methoxyphenyl)methyl]-N-(methylideneamino)methanimidamide

N'-[(4-methoxyphenyl)methyl]-N-(methylideneamino)methanimidamide (PubChem CID 142987862) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is N'-[(4-methoxyphenyl)methyl]-N-(methylideneamino)methanimidamide.

Molecular Properties

Compound NameN'-[(4-methoxyphenyl)methyl]-N-(methylideneamino)methanimidamide
PubChem CID142987862
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC NameN'-[(4-methoxyphenyl)methyl]-N-(methylideneamino)methanimidamide
SMILESC=NN/C=N/Cc1ccc(OC)cc1
InChIInChI=1S/C10H13N3O/c1-11-13-8-12-7-9-3-5-10(14-2)6-4-9/h3-6,8H,1,7H2,2H3,(H,12,13)
InChIKeyFJQKSSICEAGPST-UHFFFAOYSA-N
XLogP1.43
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[(4-methoxyphenyl)methyl]-N-(methylideneamino)methanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-methoxyphenyl)methyl]but-2-yn-1-imine
CID 101448432
(2Z)-N-[(4-methoxyphenyl)methyl]-3-methylpenta-2,4-dien-1-imine
CID 174328933
N-benzyl-2-(4-methoxyphenyl)ethanimine
CID 71336415
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
N'-[(4-methoxyphenyl)methyl]prop-2-enimidamide
CID 166085735
(2S)-N-[(4-methoxyphenyl)methyl]pent-4-en-2-amine
CID 130367202
N-[(4-methoxyphenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 17291776
ethane;formaldehyde;1-(4-methoxyphenyl)-N-methylmethanamine
CID 142914034
N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 775262
1-methoxy-4-[4-(4-methoxyphenyl)but-2-enyl]benzene
CID 54485845
ethane;N-iodo-1-(4-methoxyphenyl)methanamine
CID 142382613
1-[3-[(4-methoxyphenyl)iminomethyl]phenyl]-N-[(4-methoxyphenyl)methyl]methanimine
CID 160577318

Frequently Asked Questions

What is the IUPAC name of N'-[(4-methoxyphenyl)methyl]-N-(methylideneamino)methanimidamide?
The IUPAC name of N'-[(4-methoxyphenyl)methyl]-N-(methylideneamino)methanimidamide (CID 142987862) is N'-[(4-methoxyphenyl)methyl]-N-(methylideneamino)methanimidamide.
What is the SMILES notation for N'-[(4-methoxyphenyl)methyl]-N-(methylideneamino)methanimidamide?
The canonical SMILES for N'-[(4-methoxyphenyl)methyl]-N-(methylideneamino)methanimidamide is C=NN/C=N/Cc1ccc(OC)cc1.
What is the InChIKey of N'-[(4-methoxyphenyl)methyl]-N-(methylideneamino)methanimidamide?
The InChIKey is FJQKSSICEAGPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-11-13-8-12-7-9-3-5-10(14-2)6-4-9/h3-6,8H,1,7H2,2H3,(H,12,13).
What are the key properties of N'-[(4-methoxyphenyl)methyl]-N-(methylideneamino)methanimidamide?
N'-[(4-methoxyphenyl)methyl]-N-(methylideneamino)methanimidamide has a molecular weight of 191.23 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-methoxyphenyl)methyl]-N-(methylideneamino)methanimidamide is sourced from PubChem (CID 142987862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).