5,7-dimethoxy-3-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine

C15H23NO3 — CID 43589774

IUPAC5,7-dimethoxy-3-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCNC1c2c(OC)cc(OC)cc2OCC1C
InChIInChI=1S/C15H23NO3/c1-5-6-16-15-10(2)9-19-13-8-11(17-3)7-12(18-4)14(13)15/h7-8,10,15-16H,5-6,9H2,1-4H3
InChIKeyOIFQQHGLOOMBDP-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.77
Rot. Bonds5

About 5,7-dimethoxy-3-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine

5,7-dimethoxy-3-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43589774) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 5,7-dimethoxy-3-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name5,7-dimethoxy-3-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID43589774
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name5,7-dimethoxy-3-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCNC1c2c(OC)cc(OC)cc2OCC1C
InChIInChI=1S/C15H23NO3/c1-5-6-16-15-10(2)9-19-13-8-11(17-3)7-12(18-4)14(13)15/h7-8,10,15-16H,5-6,9H2,1-4H3
InChIKeyOIFQQHGLOOMBDP-UHFFFAOYSA-N
XLogP2.77
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine
CID 43589787
5,7-dimethoxy-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383413
6-(2-methoxyethyl)-3-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43537818
2,4,6,8-tetramethoxy-5-(2,4,6-trimethoxyphenyl)-5H-benzo[d][1,3]benzodioxocine
CID 70993959
(4R)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252301
N-ethyl-4,6-dimethoxy-2,3-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 79726519
(5S)-6,8-dimethoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 79014321
5,7-dimethoxy-4-methyl-4H-chromen-3-one;3,5-dimethoxyphenol;ethane
CID 143904324
5-ethyl-7-methoxy-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 107667317
5-ethyl-7-methoxy-2-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 107667280
(3R)-4-iodo-6-methoxy-2,3-dihydro-1-benzofuran-3-amine
CID 131002588
(3S)-4-chloro-6-methoxy-2,3-dihydro-1-benzofuran-3-amine
CID 130625417

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-3-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 5,7-dimethoxy-3-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine (CID 43589774) is 5,7-dimethoxy-3-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 5,7-dimethoxy-3-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 5,7-dimethoxy-3-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine is CCCNC1c2c(OC)cc(OC)cc2OCC1C.
What is the InChIKey of 5,7-dimethoxy-3-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is OIFQQHGLOOMBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-6-16-15-10(2)9-19-13-8-11(17-3)7-12(18-4)14(13)15/h7-8,10,15-16H,5-6,9H2,1-4H3.
What are the key properties of 5,7-dimethoxy-3-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine?
5,7-dimethoxy-3-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 265.35 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-3-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43589774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).