[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]-(2-phenylethyl)azanium

C25H24NO2+ — CID 1181688

IUPAC[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]-(2-phenylethyl)azanium
SMILESCOc1ccc(-c2c/c(=[NH+]\CCc3ccccc3)c3cc(C)ccc3o2)cc1
InChIInChI=1S/C25H23NO2/c1-18-8-13-24-22(16-18)23(26-15-14-19-6-4-3-5-7-19)17-25(28-24)20-9-11-21(27-2)12-10-20/h3-13,16-17H,14-15H2,1-2H3/p+1/b26-23+
InChIKeyMFSIZHOIUMUUCK-WNAAXNPUSA-O
MW370.47 g/mol
LogP3.64
Rot. Bonds5

About [2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]-(2-phenylethyl)azanium

[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]-(2-phenylethyl)azanium (PubChem CID 1181688) has the molecular formula C25H24NO2+ and a molecular weight of 370.47 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]-(2-phenylethyl)azanium.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]-(2-phenylethyl)azanium
PubChem CID1181688
Molecular FormulaC25H24NO2+
Molecular Weight370.47 g/mol
Exact Mass370.18
IUPAC Name[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]-(2-phenylethyl)azanium
SMILESCOc1ccc(-c2c/c(=[NH+]\CCc3ccccc3)c3cc(C)ccc3o2)cc1
InChIInChI=1S/C25H23NO2/c1-18-8-13-24-22(16-18)23(26-15-14-19-6-4-3-5-7-19)17-25(28-24)20-9-11-21(27-2)12-10-20/h3-13,16-17H,14-15H2,1-2H3/p+1/b26-23+
InChIKeyMFSIZHOIUMUUCK-WNAAXNPUSA-O
XLogP3.64
TPSA36.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Methylaminoethyl)-4-methoxy-3,5-bis((2-methoxy-5-(2-methylaminoethyl)phenyl)methyl)benzene
CID 2855
[2-(4-Methoxyphenyl)-6-methylchromen-4-ylidene]-phenylazanium perchlorate
CID 12006253
5-Carboxypentyl-[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]azanium perchlorate
CID 16196305
6-Methyl-2-phenyl-N-propyl-4H-chromen-4-imine
CID 1646129
2-[(6-Methyl-2-phenyl-4H-chromen-4-ylidene)amino]ethanol
CID 1646111
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethyl-2-phenylchromen-4-imine
CID 1579668
(6-Methyl-2-phenylchromen-4-ylidene)-(2-morpholin-4-ylethyl)azanium
CID 733512
Dimethyl[3-(6-methyl-2-phenylchromen-4-ylidene)-3-azapropyl]amine
CID 733514
N-[(4E)-6-methyl-2-phenyl-4H-chromen-4-ylidene]propan-1-aminium
CID 4361197
2-hydroxy-N-[(4E)-6-methyl-2-phenyl-4H-chromen-4-ylidene]ethan-1-aminium
CID 5201523
1-Benzopyrylium, 4-(butylamino)-4'-methoxy-, tetrafluoroborate(1-) (1:1)
CID 121695
1-carboxy-N-[(4E)-6-ethyl-2-(4-methoxyphenyl)-4H-chromen-4-ylidene]methanaminium
CID 45105219

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]-(2-phenylethyl)azanium?
The IUPAC name of [2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]-(2-phenylethyl)azanium (CID 1181688) is [2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]-(2-phenylethyl)azanium.
What is the SMILES notation for [2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]-(2-phenylethyl)azanium?
The canonical SMILES for [2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]-(2-phenylethyl)azanium is COc1ccc(-c2c/c(=[NH+]\CCc3ccccc3)c3cc(C)ccc3o2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]-(2-phenylethyl)azanium?
The InChIKey is MFSIZHOIUMUUCK-WNAAXNPUSA-O. The full InChI is InChI=1S/C25H23NO2/c1-18-8-13-24-22(16-18)23(26-15-14-19-6-4-3-5-7-19)17-25(28-24)20-9-11-21(27-2)12-10-20/h3-13,16-17H,14-15H2,1-2H3/p+1/b26-23+.
What are the key properties of [2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]-(2-phenylethyl)azanium?
[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]-(2-phenylethyl)azanium has a molecular weight of 370.47 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]-(2-phenylethyl)azanium is sourced from PubChem (CID 1181688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).