6-[3-(methylamino)-1-phenylpropoxy]-2-phenylchromen-4-one

C25H23NO3 — CID 21287354

IUPAC6-[3-(methylamino)-1-phenylpropoxy]-2-phenylchromen-4-one
SMILESCNCCC(Oc1ccc2oc(-c3ccccc3)cc(=O)c2c1)c1ccccc1
InChIInChI=1S/C25H23NO3/c1-26-15-14-23(18-8-4-2-5-9-18)28-20-12-13-24-21(16-20)22(27)17-25(29-24)19-10-6-3-7-11-19/h2-13,16-17,23,26H,14-15H2,1H3
InChIKeyLNMSGBIEDDMFNG-UHFFFAOYSA-N
MW385.46 g/mol
LogP5.19
Rot. Bonds7

About 6-[3-(methylamino)-1-phenylpropoxy]-2-phenylchromen-4-one

6-[3-(methylamino)-1-phenylpropoxy]-2-phenylchromen-4-one (PubChem CID 21287354) has the molecular formula C25H23NO3 and a molecular weight of 385.46 g/mol. Its IUPAC name is 6-[3-(methylamino)-1-phenylpropoxy]-2-phenylchromen-4-one.

Molecular Properties

Compound Name6-[3-(methylamino)-1-phenylpropoxy]-2-phenylchromen-4-one
PubChem CID21287354
Molecular FormulaC25H23NO3
Molecular Weight385.46 g/mol
Exact Mass385.17
IUPAC Name6-[3-(methylamino)-1-phenylpropoxy]-2-phenylchromen-4-one
SMILESCNCCC(Oc1ccc2oc(-c3ccccc3)cc(=O)c2c1)c1ccccc1
InChIInChI=1S/C25H23NO3/c1-26-15-14-23(18-8-4-2-5-9-18)28-20-12-13-24-21(16-20)22(27)17-25(29-24)19-10-6-3-7-11-19/h2-13,16-17,23,26H,14-15H2,1H3
InChIKeyLNMSGBIEDDMFNG-UHFFFAOYSA-N
XLogP5.19
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.46
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[3-(methylamino)-1-phenylpropoxy]-2-phenylchromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[1-cyclopropyl-3-(methylamino)propoxy]-2-phenylchromen-4-one
CID 21287397
6-methoxy-2-phenylchromen-4-one;hydrate
CID 174958280
6-(chloromethoxy)-2-phenylchromen-4-one
CID 174619447
6-(aminomethoxy)-2-phenylchromen-4-one
CID 174632980
3-tert-butyl-6-[3-(methylamino)-1-phenylpropoxy]chromen-2-one
CID 21287394
6-(3-bromopropoxy)-2-phenylchromen-4-one
CID 139992556
6-[2-(dimethylamino)ethoxy]-2-phenylchromen-4-one
CID 14982949
6-benzyl-2-phenylchromen-4-one
CID 90747479
6-ethyl-2-phenylchromen-4-one
CID 10999458
ethyl (2R)-2-(4-oxo-2-phenylchromen-7-yl)oxybutanoate
CID 102074481
cyclohexyl 2-(4-oxo-2-phenylchromen-6-yl)oxypropanoate
CID 2978712
(4-oxo-2-phenylchromen-7-yl) acetate
CID 12553720

Frequently Asked Questions

What is the IUPAC name of 6-[3-(methylamino)-1-phenylpropoxy]-2-phenylchromen-4-one?
The IUPAC name of 6-[3-(methylamino)-1-phenylpropoxy]-2-phenylchromen-4-one (CID 21287354) is 6-[3-(methylamino)-1-phenylpropoxy]-2-phenylchromen-4-one.
What is the SMILES notation for 6-[3-(methylamino)-1-phenylpropoxy]-2-phenylchromen-4-one?
The canonical SMILES for 6-[3-(methylamino)-1-phenylpropoxy]-2-phenylchromen-4-one is CNCCC(Oc1ccc2oc(-c3ccccc3)cc(=O)c2c1)c1ccccc1.
What is the InChIKey of 6-[3-(methylamino)-1-phenylpropoxy]-2-phenylchromen-4-one?
The InChIKey is LNMSGBIEDDMFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO3/c1-26-15-14-23(18-8-4-2-5-9-18)28-20-12-13-24-21(16-20)22(27)17-25(29-24)19-10-6-3-7-11-19/h2-13,16-17,23,26H,14-15H2,1H3.
What are the key properties of 6-[3-(methylamino)-1-phenylpropoxy]-2-phenylchromen-4-one?
6-[3-(methylamino)-1-phenylpropoxy]-2-phenylchromen-4-one has a molecular weight of 385.46 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(methylamino)-1-phenylpropoxy]-2-phenylchromen-4-one is sourced from PubChem (CID 21287354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).