[7-(diethylamino)-4-methylchromen-2-ylidene]-phenylazanium

C20H23N2O+ — CID 45488738

IUPAC[7-(diethylamino)-4-methylchromen-2-ylidene]-phenylazanium
SMILESCCN(CC)c1ccc2c(C)c/c(=[NH+]\c3ccccc3)oc2c1
InChIInChI=1S/C20H22N2O/c1-4-22(5-2)17-11-12-18-15(3)13-20(23-19(18)14-17)21-16-9-7-6-8-10-16/h6-14H,4-5H2,1-3H3/p+1/b21-20+
InChIKeyHTFGSSZBOXHSMV-QZQOTICOSA-O
MW307.42 g/mol
LogP2.90
Rot. Bonds4

About [7-(diethylamino)-4-methylchromen-2-ylidene]-phenylazanium

[7-(diethylamino)-4-methylchromen-2-ylidene]-phenylazanium (PubChem CID 45488738) has the molecular formula C20H23N2O+ and a molecular weight of 307.42 g/mol. Its IUPAC name is [7-(diethylamino)-4-methylchromen-2-ylidene]-phenylazanium.

Molecular Properties

Compound Name[7-(diethylamino)-4-methylchromen-2-ylidene]-phenylazanium
PubChem CID45488738
Molecular FormulaC20H23N2O+
Molecular Weight307.42 g/mol
Exact Mass307.18
IUPAC Name[7-(diethylamino)-4-methylchromen-2-ylidene]-phenylazanium
SMILESCCN(CC)c1ccc2c(C)c/c(=[NH+]\c3ccccc3)oc2c1
InChIInChI=1S/C20H22N2O/c1-4-22(5-2)17-11-12-18-15(3)13-20(23-19(18)14-17)21-16-9-7-6-8-10-16/h6-14H,4-5H2,1-3H3/p+1/b21-20+
InChIKeyHTFGSSZBOXHSMV-QZQOTICOSA-O
XLogP2.90
TPSA30.35 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [7-(diethylamino)-4-methylchromen-2-ylidene]-phenylazanium?
The IUPAC name of [7-(diethylamino)-4-methylchromen-2-ylidene]-phenylazanium (CID 45488738) is [7-(diethylamino)-4-methylchromen-2-ylidene]-phenylazanium.
What is the SMILES notation for [7-(diethylamino)-4-methylchromen-2-ylidene]-phenylazanium?
The canonical SMILES for [7-(diethylamino)-4-methylchromen-2-ylidene]-phenylazanium is CCN(CC)c1ccc2c(C)c/c(=[NH+]\c3ccccc3)oc2c1.
What is the InChIKey of [7-(diethylamino)-4-methylchromen-2-ylidene]-phenylazanium?
The InChIKey is HTFGSSZBOXHSMV-QZQOTICOSA-O. The full InChI is InChI=1S/C20H22N2O/c1-4-22(5-2)17-11-12-18-15(3)13-20(23-19(18)14-17)21-16-9-7-6-8-10-16/h6-14H,4-5H2,1-3H3/p+1/b21-20+.
What are the key properties of [7-(diethylamino)-4-methylchromen-2-ylidene]-phenylazanium?
[7-(diethylamino)-4-methylchromen-2-ylidene]-phenylazanium has a molecular weight of 307.42 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(diethylamino)-4-methylchromen-2-ylidene]-phenylazanium is sourced from PubChem (CID 45488738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).