1-(2-methoxyphenyl)-N-[(E)-(5-methoxy-2-prop-2-ynoxyphenyl)methylideneamino]methanamine

C19H20N2O3 — CID 17245574

IUPAC1-(2-methoxyphenyl)-N-[(E)-(5-methoxy-2-prop-2-ynoxyphenyl)methylideneamino]methanamine
SMILESC#CCOc1ccc(OC)cc1/C=N/NCc1ccccc1OC
InChIInChI=1S/C19H20N2O3/c1-4-11-24-19-10-9-17(22-2)12-16(19)14-21-20-13-15-7-5-6-8-18(15)23-3/h1,5-10,12,14,20H,11,13H2,2-3H3/b21-14+
InChIKeyBERFBNHZSBAMTF-KGENOOAVSA-N
MW324.38 g/mol
LogP2.84
Rot. Bonds8

About 1-(2-methoxyphenyl)-N-[(E)-(5-methoxy-2-prop-2-ynoxyphenyl)methylideneamino]methanamine

1-(2-methoxyphenyl)-N-[(E)-(5-methoxy-2-prop-2-ynoxyphenyl)methylideneamino]methanamine (PubChem CID 17245574) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-[(E)-(5-methoxy-2-prop-2-ynoxyphenyl)methylideneamino]methanamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-[(E)-(5-methoxy-2-prop-2-ynoxyphenyl)methylideneamino]methanamine
PubChem CID17245574
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name1-(2-methoxyphenyl)-N-[(E)-(5-methoxy-2-prop-2-ynoxyphenyl)methylideneamino]methanamine
SMILESC#CCOc1ccc(OC)cc1/C=N/NCc1ccccc1OC
InChIInChI=1S/C19H20N2O3/c1-4-11-24-19-10-9-17(22-2)12-16(19)14-21-20-13-15-7-5-6-8-18(15)23-3/h1,5-10,12,14,20H,11,13H2,2-3H3/b21-14+
InChIKeyBERFBNHZSBAMTF-KGENOOAVSA-N
XLogP2.84
TPSA52.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyphenyl)-N-[(Z)-(3-prop-2-ynoxyphenyl)methylideneamino]methanamine
CID 29147895
N-[(Z)-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29148265
N-[(Z)-(5-chloro-2-propoxyphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29148109
N-[(Z)-(3-ethoxy-5-iodo-4-prop-2-ynoxyphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29148451
1-(2-methoxyphenyl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]methanamine
CID 29147383
N-[(E)-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245918
N-[(Z)-[5-chloro-2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29148134
2-N-[(5-methoxy-2-prop-2-ynoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626917
N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29147564
5-[(5-methoxy-2-prop-2-ynoxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168600062
N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29147439
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245582

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-[(E)-(5-methoxy-2-prop-2-ynoxyphenyl)methylideneamino]methanamine?
The IUPAC name of 1-(2-methoxyphenyl)-N-[(E)-(5-methoxy-2-prop-2-ynoxyphenyl)methylideneamino]methanamine (CID 17245574) is 1-(2-methoxyphenyl)-N-[(E)-(5-methoxy-2-prop-2-ynoxyphenyl)methylideneamino]methanamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-[(E)-(5-methoxy-2-prop-2-ynoxyphenyl)methylideneamino]methanamine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-[(E)-(5-methoxy-2-prop-2-ynoxyphenyl)methylideneamino]methanamine is C#CCOc1ccc(OC)cc1/C=N/NCc1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)-N-[(E)-(5-methoxy-2-prop-2-ynoxyphenyl)methylideneamino]methanamine?
The InChIKey is BERFBNHZSBAMTF-KGENOOAVSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-4-11-24-19-10-9-17(22-2)12-16(19)14-21-20-13-15-7-5-6-8-18(15)23-3/h1,5-10,12,14,20H,11,13H2,2-3H3/b21-14+.
What are the key properties of 1-(2-methoxyphenyl)-N-[(E)-(5-methoxy-2-prop-2-ynoxyphenyl)methylideneamino]methanamine?
1-(2-methoxyphenyl)-N-[(E)-(5-methoxy-2-prop-2-ynoxyphenyl)methylideneamino]methanamine has a molecular weight of 324.38 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-[(E)-(5-methoxy-2-prop-2-ynoxyphenyl)methylideneamino]methanamine is sourced from PubChem (CID 17245574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).