5-ethoxy-N,N-dipropyl-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride

C17H28ClNOS — CID 10336714

IUPAC5-ethoxy-N,N-dipropyl-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride
SMILESCCCN(CCC)C1CSc2cccc(OCC)c2C1.Cl
InChIInChI=1S/C17H27NOS.ClH/c1-4-10-18(11-5-2)14-12-15-16(19-6-3)8-7-9-17(15)20-13-14;/h7-9,14H,4-6,10-13H2,1-3H3;1H
InChIKeyBTHJVPKYGFOXFA-UHFFFAOYSA-N
MW329.94 g/mol
LogP4.65
Rot. Bonds7

About 5-ethoxy-N,N-dipropyl-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride

5-ethoxy-N,N-dipropyl-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride (PubChem CID 10336714) has the molecular formula C17H28ClNOS and a molecular weight of 329.94 g/mol. Its IUPAC name is 5-ethoxy-N,N-dipropyl-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride.

Molecular Properties

Compound Name5-ethoxy-N,N-dipropyl-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride
PubChem CID10336714
Molecular FormulaC17H28ClNOS
Molecular Weight329.94 g/mol
Exact Mass329.16
IUPAC Name5-ethoxy-N,N-dipropyl-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride
SMILESCCCN(CCC)C1CSc2cccc(OCC)c2C1.Cl
InChIInChI=1S/C17H27NOS.ClH/c1-4-10-18(11-5-2)14-12-15-16(19-6-3)8-7-9-17(15)20-13-14;/h7-9,14H,4-6,10-13H2,1-3H3;1H
InChIKeyBTHJVPKYGFOXFA-UHFFFAOYSA-N
XLogP4.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.94
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N,N-dipropyl-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride?
The IUPAC name of 5-ethoxy-N,N-dipropyl-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride (CID 10336714) is 5-ethoxy-N,N-dipropyl-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride.
What is the SMILES notation for 5-ethoxy-N,N-dipropyl-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride?
The canonical SMILES for 5-ethoxy-N,N-dipropyl-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride is CCCN(CCC)C1CSc2cccc(OCC)c2C1.Cl.
What is the InChIKey of 5-ethoxy-N,N-dipropyl-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride?
The InChIKey is BTHJVPKYGFOXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS.ClH/c1-4-10-18(11-5-2)14-12-15-16(19-6-3)8-7-9-17(15)20-13-14;/h7-9,14H,4-6,10-13H2,1-3H3;1H.
What are the key properties of 5-ethoxy-N,N-dipropyl-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride?
5-ethoxy-N,N-dipropyl-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride has a molecular weight of 329.94 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N,N-dipropyl-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride is sourced from PubChem (CID 10336714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).