2-(dimethylamino)ethyl-(6-methyl-2-phenylchromen-4-ylidene)azanium

C20H23N2O+ — CID 733514

IUPAC2-(dimethylamino)ethyl-(6-methyl-2-phenylchromen-4-ylidene)azanium
SMILESCc1ccc2oc(-c3ccccc3)c/c(=[NH+]\CCN(C)C)c2c1
InChIInChI=1S/C20H22N2O/c1-15-9-10-19-17(13-15)18(21-11-12-22(2)3)14-20(23-19)16-7-5-4-6-8-16/h4-10,13-14H,11-12H2,1-3H3/p+1/b21-18+
InChIKeyLTFLDNSWLQKREC-DYTRJAOYSA-O
MW307.42 g/mol
LogP1.95
Rot. Bonds4

About 2-(dimethylamino)ethyl-(6-methyl-2-phenylchromen-4-ylidene)azanium

2-(dimethylamino)ethyl-(6-methyl-2-phenylchromen-4-ylidene)azanium (PubChem CID 733514) has the molecular formula C20H23N2O+ and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl-(6-methyl-2-phenylchromen-4-ylidene)azanium.

Molecular Properties

Compound Name2-(dimethylamino)ethyl-(6-methyl-2-phenylchromen-4-ylidene)azanium
PubChem CID733514
Molecular FormulaC20H23N2O+
Molecular Weight307.42 g/mol
Exact Mass307.18
IUPAC Name2-(dimethylamino)ethyl-(6-methyl-2-phenylchromen-4-ylidene)azanium
SMILESCc1ccc2oc(-c3ccccc3)c/c(=[NH+]\CCN(C)C)c2c1
InChIInChI=1S/C20H22N2O/c1-15-9-10-19-17(13-15)18(21-11-12-22(2)3)14-20(23-19)16-7-5-4-6-8-16/h4-10,13-14H,11-12H2,1-3H3/p+1/b21-18+
InChIKeyLTFLDNSWLQKREC-DYTRJAOYSA-O
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl-(6-methyl-2-phenylchromen-4-ylidene)azanium?
The IUPAC name of 2-(dimethylamino)ethyl-(6-methyl-2-phenylchromen-4-ylidene)azanium (CID 733514) is 2-(dimethylamino)ethyl-(6-methyl-2-phenylchromen-4-ylidene)azanium.
What is the SMILES notation for 2-(dimethylamino)ethyl-(6-methyl-2-phenylchromen-4-ylidene)azanium?
The canonical SMILES for 2-(dimethylamino)ethyl-(6-methyl-2-phenylchromen-4-ylidene)azanium is Cc1ccc2oc(-c3ccccc3)c/c(=[NH+]\CCN(C)C)c2c1.
What is the InChIKey of 2-(dimethylamino)ethyl-(6-methyl-2-phenylchromen-4-ylidene)azanium?
The InChIKey is LTFLDNSWLQKREC-DYTRJAOYSA-O. The full InChI is InChI=1S/C20H22N2O/c1-15-9-10-19-17(13-15)18(21-11-12-22(2)3)14-20(23-19)16-7-5-4-6-8-16/h4-10,13-14H,11-12H2,1-3H3/p+1/b21-18+.
What are the key properties of 2-(dimethylamino)ethyl-(6-methyl-2-phenylchromen-4-ylidene)azanium?
2-(dimethylamino)ethyl-(6-methyl-2-phenylchromen-4-ylidene)azanium has a molecular weight of 307.42 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl-(6-methyl-2-phenylchromen-4-ylidene)azanium is sourced from PubChem (CID 733514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).