3-(7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl)-N-methyl-2-thiophen-2-ylpropan-1-amine;hydrochloride

C24H28ClNO2S — CID 67857063

IUPAC3-(7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl)-N-methyl-2-thiophen-2-ylpropan-1-amine;hydrochloride
SMILESCNCC(CC1CC(c2ccccc2)Oc2cc(OC)ccc21)c1cccs1.Cl
InChIInChI=1S/C24H27NO2S.ClH/c1-25-16-19(24-9-6-12-28-24)13-18-14-22(17-7-4-3-5-8-17)27-23-15-20(26-2)10-11-21(18)23;/h3-12,15,18-19,22,25H,13-14,16H2,1-2H3;1H
InChIKeyLXQIJMFPBRUUPX-UHFFFAOYSA-N
MW430.01 g/mol
LogP6.18
Rot. Bonds7

About 3-(7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl)-N-methyl-2-thiophen-2-ylpropan-1-amine;hydrochloride

3-(7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl)-N-methyl-2-thiophen-2-ylpropan-1-amine;hydrochloride (PubChem CID 67857063) has the molecular formula C24H28ClNO2S and a molecular weight of 430.01 g/mol. Its IUPAC name is 3-(7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl)-N-methyl-2-thiophen-2-ylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl)-N-methyl-2-thiophen-2-ylpropan-1-amine;hydrochloride
PubChem CID67857063
Molecular FormulaC24H28ClNO2S
Molecular Weight430.01 g/mol
Exact Mass429.15
IUPAC Name3-(7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl)-N-methyl-2-thiophen-2-ylpropan-1-amine;hydrochloride
SMILESCNCC(CC1CC(c2ccccc2)Oc2cc(OC)ccc21)c1cccs1.Cl
InChIInChI=1S/C24H27NO2S.ClH/c1-25-16-19(24-9-6-12-28-24)13-18-14-22(17-7-4-3-5-8-17)27-23-15-20(26-2)10-11-21(18)23;/h3-12,15,18-19,22,25H,13-14,16H2,1-2H3;1H
InChIKeyLXQIJMFPBRUUPX-UHFFFAOYSA-N
XLogP6.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.01
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl)-N-methyl-2-thiophen-2-ylpropan-1-amine;hydrochloride?
The IUPAC name of 3-(7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl)-N-methyl-2-thiophen-2-ylpropan-1-amine;hydrochloride (CID 67857063) is 3-(7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl)-N-methyl-2-thiophen-2-ylpropan-1-amine;hydrochloride.
What is the SMILES notation for 3-(7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl)-N-methyl-2-thiophen-2-ylpropan-1-amine;hydrochloride?
The canonical SMILES for 3-(7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl)-N-methyl-2-thiophen-2-ylpropan-1-amine;hydrochloride is CNCC(CC1CC(c2ccccc2)Oc2cc(OC)ccc21)c1cccs1.Cl.
What is the InChIKey of 3-(7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl)-N-methyl-2-thiophen-2-ylpropan-1-amine;hydrochloride?
The InChIKey is LXQIJMFPBRUUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2S.ClH/c1-25-16-19(24-9-6-12-28-24)13-18-14-22(17-7-4-3-5-8-17)27-23-15-20(26-2)10-11-21(18)23;/h3-12,15,18-19,22,25H,13-14,16H2,1-2H3;1H.
What are the key properties of 3-(7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl)-N-methyl-2-thiophen-2-ylpropan-1-amine;hydrochloride?
3-(7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl)-N-methyl-2-thiophen-2-ylpropan-1-amine;hydrochloride has a molecular weight of 430.01 g/mol, XLogP of 6.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl)-N-methyl-2-thiophen-2-ylpropan-1-amine;hydrochloride is sourced from PubChem (CID 67857063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).