1-(3,4-dihydro-2H-chromen-6-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine

C17H21NOS — CID 79985465

IUPAC1-(3,4-dihydro-2H-chromen-6-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
SMILESCCc1ccsc1C(NC)c1ccc2c(c1)CCCO2
InChIInChI=1S/C17H21NOS/c1-3-12-8-10-20-17(12)16(18-2)14-6-7-15-13(11-14)5-4-9-19-15/h6-8,10-11,16,18H,3-5,9H2,1-2H3
InChIKeyZLUHXZGOMMDYHO-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.94
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-6-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine

1-(3,4-dihydro-2H-chromen-6-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine (PubChem CID 79985465) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-6-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-6-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
PubChem CID79985465
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name1-(3,4-dihydro-2H-chromen-6-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
SMILESCCc1ccsc1C(NC)c1ccc2c(c1)CCCO2
InChIInChI=1S/C17H21NOS/c1-3-12-8-10-20-17(12)16(18-2)14-6-7-15-13(11-14)5-4-9-19-15/h6-8,10-11,16,18H,3-5,9H2,1-2H3
InChIKeyZLUHXZGOMMDYHO-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine (CID 79985465) is 1-(3,4-dihydro-2H-chromen-6-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-6-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-6-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine is CCc1ccsc1C(NC)c1ccc2c(c1)CCCO2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-6-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine?
The InChIKey is ZLUHXZGOMMDYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-3-12-8-10-20-17(12)16(18-2)14-6-7-15-13(11-14)5-4-9-19-15/h6-8,10-11,16,18H,3-5,9H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-6-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine?
1-(3,4-dihydro-2H-chromen-6-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine has a molecular weight of 287.43 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-6-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 79985465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).