2-[4-(methylaminomethyl)phenyl]-N-methylideneethanimidamide

C11H15N3 — CID 90948485

IUPAC2-[4-(methylaminomethyl)phenyl]-N-methylideneethanimidamide
SMILES[H]/N=C(/Cc1ccc(CNC)cc1)N=C
InChIInChI=1S/C11H15N3/c1-13-8-10-5-3-9(4-6-10)7-11(12)14-2/h3-6,12-13H,2,7-8H2,1H3/b12-11-
InChIKeyMXDHOIMFVWGGMV-QXMHVHEDSA-N
MW189.26 g/mol
LogP1.63
Rot. Bonds4

About 2-[4-(methylaminomethyl)phenyl]-N-methylideneethanimidamide

2-[4-(methylaminomethyl)phenyl]-N-methylideneethanimidamide (PubChem CID 90948485) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-[4-(methylaminomethyl)phenyl]-N-methylideneethanimidamide.

Molecular Properties

Compound Name2-[4-(methylaminomethyl)phenyl]-N-methylideneethanimidamide
PubChem CID90948485
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name2-[4-(methylaminomethyl)phenyl]-N-methylideneethanimidamide
SMILES[H]/N=C(/Cc1ccc(CNC)cc1)N=C
InChIInChI=1S/C11H15N3/c1-13-8-10-5-3-9(4-6-10)7-11(12)14-2/h3-6,12-13H,2,7-8H2,1H3/b12-11-
InChIKeyMXDHOIMFVWGGMV-QXMHVHEDSA-N
XLogP1.63
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.63
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'}

Analyze 2-[4-(methylaminomethyl)phenyl]-N-methylideneethanimidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylaminomethyl)phenyl]-N-methylideneethanimidamide?
The IUPAC name of 2-[4-(methylaminomethyl)phenyl]-N-methylideneethanimidamide (CID 90948485) is 2-[4-(methylaminomethyl)phenyl]-N-methylideneethanimidamide.
What is the SMILES notation for 2-[4-(methylaminomethyl)phenyl]-N-methylideneethanimidamide?
The canonical SMILES for 2-[4-(methylaminomethyl)phenyl]-N-methylideneethanimidamide is [H]/N=C(/Cc1ccc(CNC)cc1)N=C.
What is the InChIKey of 2-[4-(methylaminomethyl)phenyl]-N-methylideneethanimidamide?
The InChIKey is MXDHOIMFVWGGMV-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H15N3/c1-13-8-10-5-3-9(4-6-10)7-11(12)14-2/h3-6,12-13H,2,7-8H2,1H3/b12-11-.
What are the key properties of 2-[4-(methylaminomethyl)phenyl]-N-methylideneethanimidamide?
2-[4-(methylaminomethyl)phenyl]-N-methylideneethanimidamide has a molecular weight of 189.26 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylaminomethyl)phenyl]-N-methylideneethanimidamide is sourced from PubChem (CID 90948485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).