4-[2-[4-(aminomethyl)phenyl]ethenyl]-N'-methylbenzenecarboximidamide

C17H19N3 — CID 57029880

IUPAC4-[2-[4-(aminomethyl)phenyl]ethenyl]-N'-methylbenzenecarboximidamide
SMILESC/N=C(\N)c1ccc(C=Cc2ccc(CN)cc2)cc1
InChIInChI=1S/C17H19N3/c1-20-17(19)16-10-8-14(9-11-16)3-2-13-4-6-15(12-18)7-5-13/h2-11H,12,18H2,1H3,(H2,19,20)
InChIKeyBIFACJNBJQGMQF-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.65
Rot. Bonds4

About 4-[2-[4-(aminomethyl)phenyl]ethenyl]-N'-methylbenzenecarboximidamide

4-[2-[4-(aminomethyl)phenyl]ethenyl]-N'-methylbenzenecarboximidamide (PubChem CID 57029880) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[2-[4-(aminomethyl)phenyl]ethenyl]-N'-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[2-[4-(aminomethyl)phenyl]ethenyl]-N'-methylbenzenecarboximidamide
PubChem CID57029880
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name4-[2-[4-(aminomethyl)phenyl]ethenyl]-N'-methylbenzenecarboximidamide
SMILESC/N=C(\N)c1ccc(C=Cc2ccc(CN)cc2)cc1
InChIInChI=1S/C17H19N3/c1-20-17(19)16-10-8-14(9-11-16)3-2-13-4-6-15(12-18)7-5-13/h2-11H,12,18H2,1H3,(H2,19,20)
InChIKeyBIFACJNBJQGMQF-UHFFFAOYSA-N
XLogP2.65
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-[[4-(3-aminoprop-1-enyl)phenyl]methoxy]-4-methoxy-N'-methylbenzenecarboximidamide
CID 70473988
6-[(E)-2-[4-(aminomethyl)phenyl]ethenyl]naphthalene-2-carboxamide
CID 142645139
4-hydroxy-N'-methylbenzenecarboximidamide
CID 135965183
4-(aminomethyl)-N'-butan-2-ylbenzenecarboximidamide
CID 123347700
[4-(2-iodoethenyl)phenyl]methanamine
CID 174758565
[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]methanamine
CID 142082081
4-(aminomethyl)-N,N'-dimethylbenzenecarboximidamide;ethane
CID 91450570
4-[(E)-3-[4-(N'-methylcarbamimidoyl)anilino]-3-oxoprop-1-enyl]-N-[4-(N'-methylcarbamimidoyl)phenyl]benzamide;hydrochloride
CID 45481073
N'-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzenecarboximidamide
CID 144761059
[4-(aminomethyl)phenyl]methanamine;benzene-1,4-dicarboxamide
CID 68644964
4-(4-aminobut-1-enyl)-N'-hydroxybenzenecarboximidamide
CID 170487280
[4-(3-chloroprop-1-enyl)phenyl]methanamine
CID 169477052

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(aminomethyl)phenyl]ethenyl]-N'-methylbenzenecarboximidamide?
The IUPAC name of 4-[2-[4-(aminomethyl)phenyl]ethenyl]-N'-methylbenzenecarboximidamide (CID 57029880) is 4-[2-[4-(aminomethyl)phenyl]ethenyl]-N'-methylbenzenecarboximidamide.
What is the SMILES notation for 4-[2-[4-(aminomethyl)phenyl]ethenyl]-N'-methylbenzenecarboximidamide?
The canonical SMILES for 4-[2-[4-(aminomethyl)phenyl]ethenyl]-N'-methylbenzenecarboximidamide is C/N=C(\N)c1ccc(C=Cc2ccc(CN)cc2)cc1.
What is the InChIKey of 4-[2-[4-(aminomethyl)phenyl]ethenyl]-N'-methylbenzenecarboximidamide?
The InChIKey is BIFACJNBJQGMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-20-17(19)16-10-8-14(9-11-16)3-2-13-4-6-15(12-18)7-5-13/h2-11H,12,18H2,1H3,(H2,19,20).
What are the key properties of 4-[2-[4-(aminomethyl)phenyl]ethenyl]-N'-methylbenzenecarboximidamide?
4-[2-[4-(aminomethyl)phenyl]ethenyl]-N'-methylbenzenecarboximidamide has a molecular weight of 265.36 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(aminomethyl)phenyl]ethenyl]-N'-methylbenzenecarboximidamide is sourced from PubChem (CID 57029880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).