5-phenyl-N-(2-thiophen-2-ylethyl)-3,4-dihydro-2H-chromen-3-amine

C21H21NOS — CID 19028251

IUPAC5-phenyl-N-(2-thiophen-2-ylethyl)-3,4-dihydro-2H-chromen-3-amine
SMILESc1ccc(-c2cccc3c2CC(NCCc2cccs2)CO3)cc1
InChIInChI=1S/C21H21NOS/c1-2-6-16(7-3-1)19-9-4-10-21-20(19)14-17(15-23-21)22-12-11-18-8-5-13-24-18/h1-10,13,17,22H,11-12,14-15H2
InChIKeyOMVWMDPFFRPDOZ-UHFFFAOYSA-N
MW335.47 g/mol
LogP4.55
Rot. Bonds5

About 5-phenyl-N-(2-thiophen-2-ylethyl)-3,4-dihydro-2H-chromen-3-amine

5-phenyl-N-(2-thiophen-2-ylethyl)-3,4-dihydro-2H-chromen-3-amine (PubChem CID 19028251) has the molecular formula C21H21NOS and a molecular weight of 335.47 g/mol. Its IUPAC name is 5-phenyl-N-(2-thiophen-2-ylethyl)-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound Name5-phenyl-N-(2-thiophen-2-ylethyl)-3,4-dihydro-2H-chromen-3-amine
PubChem CID19028251
Molecular FormulaC21H21NOS
Molecular Weight335.47 g/mol
Exact Mass335.13
IUPAC Name5-phenyl-N-(2-thiophen-2-ylethyl)-3,4-dihydro-2H-chromen-3-amine
SMILESc1ccc(-c2cccc3c2CC(NCCc2cccs2)CO3)cc1
InChIInChI=1S/C21H21NOS/c1-2-6-16(7-3-1)19-9-4-10-21-20(19)14-17(15-23-21)22-12-11-18-8-5-13-24-18/h1-10,13,17,22H,11-12,14-15H2
InChIKeyOMVWMDPFFRPDOZ-UHFFFAOYSA-N
XLogP4.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(2-thiophen-2-ylethyl)-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of 5-phenyl-N-(2-thiophen-2-ylethyl)-3,4-dihydro-2H-chromen-3-amine (CID 19028251) is 5-phenyl-N-(2-thiophen-2-ylethyl)-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for 5-phenyl-N-(2-thiophen-2-ylethyl)-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for 5-phenyl-N-(2-thiophen-2-ylethyl)-3,4-dihydro-2H-chromen-3-amine is c1ccc(-c2cccc3c2CC(NCCc2cccs2)CO3)cc1.
What is the InChIKey of 5-phenyl-N-(2-thiophen-2-ylethyl)-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is OMVWMDPFFRPDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NOS/c1-2-6-16(7-3-1)19-9-4-10-21-20(19)14-17(15-23-21)22-12-11-18-8-5-13-24-18/h1-10,13,17,22H,11-12,14-15H2.
What are the key properties of 5-phenyl-N-(2-thiophen-2-ylethyl)-3,4-dihydro-2H-chromen-3-amine?
5-phenyl-N-(2-thiophen-2-ylethyl)-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 335.47 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(2-thiophen-2-ylethyl)-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 19028251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).