(Z)-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-2-(methylideneamino)-2-phenylethenamine

C20H23N3 — CID 142826390

IUPAC(Z)-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-2-(methylideneamino)-2-phenylethenamine
SMILESC=N/C(=C\NCC1Cc2ccccc2CN1C)c1ccccc1
InChIInChI=1S/C20H23N3/c1-21-20(16-8-4-3-5-9-16)14-22-13-19-12-17-10-6-7-11-18(17)15-23(19)2/h3-11,14,19,22H,1,12-13,15H2,2H3/b20-14-
InChIKeyUWBSZALTKQKDMS-ZHZULCJRSA-N
MW305.43 g/mol
LogP3.33
Rot. Bonds5

About (Z)-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-2-(methylideneamino)-2-phenylethenamine

(Z)-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-2-(methylideneamino)-2-phenylethenamine (PubChem CID 142826390) has the molecular formula C20H23N3 and a molecular weight of 305.43 g/mol. Its IUPAC name is (Z)-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-2-(methylideneamino)-2-phenylethenamine.

Molecular Properties

Compound Name(Z)-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-2-(methylideneamino)-2-phenylethenamine
PubChem CID142826390
Molecular FormulaC20H23N3
Molecular Weight305.43 g/mol
Exact Mass305.19
IUPAC Name(Z)-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-2-(methylideneamino)-2-phenylethenamine
SMILESC=N/C(=C\NCC1Cc2ccccc2CN1C)c1ccccc1
InChIInChI=1S/C20H23N3/c1-21-20(16-8-4-3-5-9-16)14-22-13-19-12-17-10-6-7-11-18(17)15-23(19)2/h3-11,14,19,22H,1,12-13,15H2,2H3/b20-14-
InChIKeyUWBSZALTKQKDMS-ZHZULCJRSA-N
XLogP3.33
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-2-(methylideneamino)-2-phenylethenamine?
The IUPAC name of (Z)-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-2-(methylideneamino)-2-phenylethenamine (CID 142826390) is (Z)-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-2-(methylideneamino)-2-phenylethenamine.
What is the SMILES notation for (Z)-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-2-(methylideneamino)-2-phenylethenamine?
The canonical SMILES for (Z)-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-2-(methylideneamino)-2-phenylethenamine is C=N/C(=C\NCC1Cc2ccccc2CN1C)c1ccccc1.
What is the InChIKey of (Z)-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-2-(methylideneamino)-2-phenylethenamine?
The InChIKey is UWBSZALTKQKDMS-ZHZULCJRSA-N. The full InChI is InChI=1S/C20H23N3/c1-21-20(16-8-4-3-5-9-16)14-22-13-19-12-17-10-6-7-11-18(17)15-23(19)2/h3-11,14,19,22H,1,12-13,15H2,2H3/b20-14-.
What are the key properties of (Z)-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-2-(methylideneamino)-2-phenylethenamine?
(Z)-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-2-(methylideneamino)-2-phenylethenamine has a molecular weight of 305.43 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-2-(methylideneamino)-2-phenylethenamine is sourced from PubChem (CID 142826390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).