(E)-N-[(E)-(2-methyl-5,6-dihydronaphthalen-1-yl)methylideneamino]-1-phenylethanimine

C20H20N2 — CID 174153049

IUPAC(E)-N-[(E)-(2-methyl-5,6-dihydronaphthalen-1-yl)methylideneamino]-1-phenylethanimine
SMILESC/C(=N/N=C/c1c(C)ccc2c1C=CCC2)c1ccccc1
InChIInChI=1S/C20H20N2/c1-15-12-13-18-10-6-7-11-19(18)20(15)14-21-22-16(2)17-8-4-3-5-9-17/h3-5,7-9,11-14H,6,10H2,1-2H3/b21-14+,22-16-
InChIKeyUWFCMBBRSPMWAM-AOOUSOOLSA-N
MW288.39 g/mol
LogP4.80
Rot. Bonds3

About (E)-N-[(E)-(2-methyl-5,6-dihydronaphthalen-1-yl)methylideneamino]-1-phenylethanimine

(E)-N-[(E)-(2-methyl-5,6-dihydronaphthalen-1-yl)methylideneamino]-1-phenylethanimine (PubChem CID 174153049) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (E)-N-[(E)-(2-methyl-5,6-dihydronaphthalen-1-yl)methylideneamino]-1-phenylethanimine.

Molecular Properties

Compound Name(E)-N-[(E)-(2-methyl-5,6-dihydronaphthalen-1-yl)methylideneamino]-1-phenylethanimine
PubChem CID174153049
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name(E)-N-[(E)-(2-methyl-5,6-dihydronaphthalen-1-yl)methylideneamino]-1-phenylethanimine
SMILESC/C(=N/N=C/c1c(C)ccc2c1C=CCC2)c1ccccc1
InChIInChI=1S/C20H20N2/c1-15-12-13-18-10-6-7-11-19(18)20(15)14-21-22-16(2)17-8-4-3-5-9-17/h3-5,7-9,11-14H,6,10H2,1-2H3/b21-14+,22-16-
InChIKeyUWFCMBBRSPMWAM-AOOUSOOLSA-N
XLogP4.80
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-(2-methyl-5,6-dihydronaphthalen-1-yl)methylideneamino]-1-phenylethanimine?
The IUPAC name of (E)-N-[(E)-(2-methyl-5,6-dihydronaphthalen-1-yl)methylideneamino]-1-phenylethanimine (CID 174153049) is (E)-N-[(E)-(2-methyl-5,6-dihydronaphthalen-1-yl)methylideneamino]-1-phenylethanimine.
What is the SMILES notation for (E)-N-[(E)-(2-methyl-5,6-dihydronaphthalen-1-yl)methylideneamino]-1-phenylethanimine?
The canonical SMILES for (E)-N-[(E)-(2-methyl-5,6-dihydronaphthalen-1-yl)methylideneamino]-1-phenylethanimine is C/C(=N/N=C/c1c(C)ccc2c1C=CCC2)c1ccccc1.
What is the InChIKey of (E)-N-[(E)-(2-methyl-5,6-dihydronaphthalen-1-yl)methylideneamino]-1-phenylethanimine?
The InChIKey is UWFCMBBRSPMWAM-AOOUSOOLSA-N. The full InChI is InChI=1S/C20H20N2/c1-15-12-13-18-10-6-7-11-19(18)20(15)14-21-22-16(2)17-8-4-3-5-9-17/h3-5,7-9,11-14H,6,10H2,1-2H3/b21-14+,22-16-.
What are the key properties of (E)-N-[(E)-(2-methyl-5,6-dihydronaphthalen-1-yl)methylideneamino]-1-phenylethanimine?
(E)-N-[(E)-(2-methyl-5,6-dihydronaphthalen-1-yl)methylideneamino]-1-phenylethanimine has a molecular weight of 288.39 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-(2-methyl-5,6-dihydronaphthalen-1-yl)methylideneamino]-1-phenylethanimine is sourced from PubChem (CID 174153049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).