5-[3-(methylamino)-1-phenylpropoxy]-3-phenylchromen-4-one

C25H23NO3 — CID 21287380

IUPAC5-[3-(methylamino)-1-phenylpropoxy]-3-phenylchromen-4-one
SMILESCNCCC(Oc1cccc2occ(-c3ccccc3)c(=O)c12)c1ccccc1
InChIInChI=1S/C25H23NO3/c1-26-16-15-21(19-11-6-3-7-12-19)29-23-14-8-13-22-24(23)25(27)20(17-28-22)18-9-4-2-5-10-18/h2-14,17,21,26H,15-16H2,1H3
InChIKeyQXZDYIKXMFTQTD-UHFFFAOYSA-N
MW385.46 g/mol
LogP5.19
Rot. Bonds7

About 5-[3-(methylamino)-1-phenylpropoxy]-3-phenylchromen-4-one

5-[3-(methylamino)-1-phenylpropoxy]-3-phenylchromen-4-one (PubChem CID 21287380) has the molecular formula C25H23NO3 and a molecular weight of 385.46 g/mol. Its IUPAC name is 5-[3-(methylamino)-1-phenylpropoxy]-3-phenylchromen-4-one.

Molecular Properties

Compound Name5-[3-(methylamino)-1-phenylpropoxy]-3-phenylchromen-4-one
PubChem CID21287380
Molecular FormulaC25H23NO3
Molecular Weight385.46 g/mol
Exact Mass385.17
IUPAC Name5-[3-(methylamino)-1-phenylpropoxy]-3-phenylchromen-4-one
SMILESCNCCC(Oc1cccc2occ(-c3ccccc3)c(=O)c12)c1ccccc1
InChIInChI=1S/C25H23NO3/c1-26-16-15-21(19-11-6-3-7-12-19)29-23-14-8-13-22-24(23)25(27)20(17-28-22)18-9-4-2-5-10-18/h2-14,17,21,26H,15-16H2,1H3
InChIKeyQXZDYIKXMFTQTD-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

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Related Compounds

(3R)-3-(1-benzofuran-4-yloxy)-N-methyl-3-phenylpropan-1-amine
CID 58630691
hydron;3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;chloride
CID 74765078
N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;oxalic acid
CID 11609891
3-(2-ethylsulfanylphenoxy)-N-methyl-3-phenylpropan-1-amine
CID 19102986
(3R)-N-methyl-3-phenyl-3-(2-propylsulfanylphenoxy)propan-1-amine
CID 11175584
(3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-phenylpropan-1-amine
CID 146397496
N-[[2-[3-(methylamino)-1-phenylpropoxy]phenyl]methyl]aniline
CID 138738140
3-[(2-iodo-3-pyridinyl)oxy]-N-methyl-3-phenylpropan-1-amine
CID 25125568
N-methyl-3-phenyl-3-(2-prop-2-enylphenoxy)propan-1-amine
CID 12807459
6-[3-(methylamino)-1-phenylpropoxy]-2-phenylchromen-4-one
CID 21287354
(3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-phenylpropan-1-amine;sulfane
CID 165109071
2-[3-(methylamino)-1-phenylpropoxy]-N-(2-phenylethyl)aniline
CID 138738161

Frequently Asked Questions

What is the IUPAC name of 5-[3-(methylamino)-1-phenylpropoxy]-3-phenylchromen-4-one?
The IUPAC name of 5-[3-(methylamino)-1-phenylpropoxy]-3-phenylchromen-4-one (CID 21287380) is 5-[3-(methylamino)-1-phenylpropoxy]-3-phenylchromen-4-one.
What is the SMILES notation for 5-[3-(methylamino)-1-phenylpropoxy]-3-phenylchromen-4-one?
The canonical SMILES for 5-[3-(methylamino)-1-phenylpropoxy]-3-phenylchromen-4-one is CNCCC(Oc1cccc2occ(-c3ccccc3)c(=O)c12)c1ccccc1.
What is the InChIKey of 5-[3-(methylamino)-1-phenylpropoxy]-3-phenylchromen-4-one?
The InChIKey is QXZDYIKXMFTQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO3/c1-26-16-15-21(19-11-6-3-7-12-19)29-23-14-8-13-22-24(23)25(27)20(17-28-22)18-9-4-2-5-10-18/h2-14,17,21,26H,15-16H2,1H3.
What are the key properties of 5-[3-(methylamino)-1-phenylpropoxy]-3-phenylchromen-4-one?
5-[3-(methylamino)-1-phenylpropoxy]-3-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 5-[3-(methylamino)-1-phenylpropoxy]-3-phenylchromen-4-one is sourced from PubChem (CID 21287380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).