6-methoxy-N-methyl-2-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-4-amine

C15H23NO2S — CID 103090686

IUPAC6-methoxy-N-methyl-2-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(CCCSC)Oc2ccc(OC)cc21
InChIInChI=1S/C15H23NO2S/c1-16-14-10-12(5-4-8-19-3)18-15-7-6-11(17-2)9-13(14)15/h6-7,9,12,14,16H,4-5,8,10H2,1-3H3
InChIKeyYOOYNNIZVDYOKT-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.25
Rot. Bonds6

About 6-methoxy-N-methyl-2-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-4-amine

6-methoxy-N-methyl-2-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 103090686) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 6-methoxy-N-methyl-2-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-methoxy-N-methyl-2-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID103090686
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name6-methoxy-N-methyl-2-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(CCCSC)Oc2ccc(OC)cc21
InChIInChI=1S/C15H23NO2S/c1-16-14-10-12(5-4-8-19-3)18-15-7-6-11(17-2)9-13(14)15/h6-7,9,12,14,16H,4-5,8,10H2,1-3H3
InChIKeyYOOYNNIZVDYOKT-UHFFFAOYSA-N
XLogP3.25
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-hexyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114713035
6-methoxy-N-methyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114712931
2-cyclopropyl-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712990
6-methoxy-N-methyl-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-amine
CID 114712917
(4S)-2-butyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104946892
(4R)-2-heptyl-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104950983
2-hexyl-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114715401
(4R)-2-heptyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104946961
2-(2-chlorophenyl)-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712980
6-bromo-N-methyl-2-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114713313
2-cyclohex-3-en-1-yl-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712965
(4R)-6-bromo-2-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 103090694

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-methyl-2-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-methoxy-N-methyl-2-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-4-amine (CID 103090686) is 6-methoxy-N-methyl-2-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-methoxy-N-methyl-2-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-methoxy-N-methyl-2-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-4-amine is CNC1CC(CCCSC)Oc2ccc(OC)cc21.
What is the InChIKey of 6-methoxy-N-methyl-2-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is YOOYNNIZVDYOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-16-14-10-12(5-4-8-19-3)18-15-7-6-11(17-2)9-13(14)15/h6-7,9,12,14,16H,4-5,8,10H2,1-3H3.
What are the key properties of 6-methoxy-N-methyl-2-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-4-amine?
6-methoxy-N-methyl-2-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 281.42 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-methyl-2-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 103090686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).