4-[(4-methoxyphenyl)methyl-methylamino]benzenecarboximidamide

C16H19N3O — CID 61417684

IUPAC4-[(4-methoxyphenyl)methyl-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C16H19N3O/c1-19(11-12-3-9-15(20-2)10-4-12)14-7-5-13(6-8-14)16(17)18/h3-10H,11H2,1-2H3,(H3,17,18)
InChIKeyAZRVYGMSNFMQRK-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.62
Rot. Bonds5

About 4-[(4-methoxyphenyl)methyl-methylamino]benzenecarboximidamide

4-[(4-methoxyphenyl)methyl-methylamino]benzenecarboximidamide (PubChem CID 61417684) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methyl-methylamino]benzenecarboximidamide.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methyl-methylamino]benzenecarboximidamide
PubChem CID61417684
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-[(4-methoxyphenyl)methyl-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C16H19N3O/c1-19(11-12-3-9-15(20-2)10-4-12)14-7-5-13(6-8-14)16(17)18/h3-10H,11H2,1-2H3,(H3,17,18)
InChIKeyAZRVYGMSNFMQRK-UHFFFAOYSA-N
XLogP2.62
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-[(4-methoxyphenyl)methyl-methylamino]-2-methylbenzenecarboximidamide
CID 81270232
4-[benzyl(methyl)amino]benzenecarboximidamide;hydrochloride
CID 82240686
3-chloro-4-[(4-methoxy-N-methylanilino)methyl]benzenecarboximidamide
CID 102667882
4-[(4-methoxyphenyl)methyl-methylamino]benzoic acid
CID 39369991
4-[(5-bromo-3-pyridinyl)methyl-methylamino]benzenecarboximidamide
CID 104797731
4-[(2-methoxy-5-methylphenyl)methyl-methylamino]benzenecarboximidamide
CID 62970325
6-[(4-methoxyphenyl)methyl-methylamino]pyridine-2-carboximidamide
CID 64596135
4-[3-(4-carbamimidoyl-N-methylanilino)propyl-methylamino]benzenecarboximidamide
CID 122182388
4-[[4-(dimethylamino)phenyl]methoxy]benzenecarboximidamide;hydrochloride
CID 82240770
acetic acid;4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide
CID 75537360
4-[(4-methoxy-N-methylanilino)methyl]-N-methylaniline
CID 115212693
2-[(4-methoxyphenyl)methyl-methylamino]ethanimidamide
CID 61417970

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methyl-methylamino]benzenecarboximidamide?
The IUPAC name of 4-[(4-methoxyphenyl)methyl-methylamino]benzenecarboximidamide (CID 61417684) is 4-[(4-methoxyphenyl)methyl-methylamino]benzenecarboximidamide.
What is the SMILES notation for 4-[(4-methoxyphenyl)methyl-methylamino]benzenecarboximidamide?
The canonical SMILES for 4-[(4-methoxyphenyl)methyl-methylamino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(N(C)Cc2ccc(OC)cc2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methyl-methylamino]benzenecarboximidamide?
The InChIKey is AZRVYGMSNFMQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-19(11-12-3-9-15(20-2)10-4-12)14-7-5-13(6-8-14)16(17)18/h3-10H,11H2,1-2H3,(H3,17,18).
What are the key properties of 4-[(4-methoxyphenyl)methyl-methylamino]benzenecarboximidamide?
4-[(4-methoxyphenyl)methyl-methylamino]benzenecarboximidamide has a molecular weight of 269.35 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methyl-methylamino]benzenecarboximidamide is sourced from PubChem (CID 61417684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).