4-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydrochromen-4-amine

C16H19NOS — CID 65406283

IUPAC4-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydrochromen-4-amine
SMILESCCc1ccc(CC2(N)CCOc3ccccc32)s1
InChIInChI=1S/C16H19NOS/c1-2-12-7-8-13(19-12)11-16(17)9-10-18-15-6-4-3-5-14(15)16/h3-8H,2,9-11,17H2,1H3
InChIKeyIAVZVTDXXSFUSX-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.49
Rot. Bonds3

About 4-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydrochromen-4-amine

4-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydrochromen-4-amine (PubChem CID 65406283) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 4-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydrochromen-4-amine.

Molecular Properties

Compound Name4-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydrochromen-4-amine
PubChem CID65406283
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name4-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydrochromen-4-amine
SMILESCCc1ccc(CC2(N)CCOc3ccccc32)s1
InChIInChI=1S/C16H19NOS/c1-2-12-7-8-13(19-12)11-16(17)9-10-18-15-6-4-3-5-14(15)16/h3-8H,2,9-11,17H2,1H3
InChIKeyIAVZVTDXXSFUSX-UHFFFAOYSA-N
XLogP3.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydrochromen-4-amine?
The IUPAC name of 4-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydrochromen-4-amine (CID 65406283) is 4-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydrochromen-4-amine.
What is the SMILES notation for 4-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydrochromen-4-amine?
The canonical SMILES for 4-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydrochromen-4-amine is CCc1ccc(CC2(N)CCOc3ccccc32)s1.
What is the InChIKey of 4-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydrochromen-4-amine?
The InChIKey is IAVZVTDXXSFUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-2-12-7-8-13(19-12)11-16(17)9-10-18-15-6-4-3-5-14(15)16/h3-8H,2,9-11,17H2,1H3.
What are the key properties of 4-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydrochromen-4-amine?
4-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydrochromen-4-amine has a molecular weight of 273.40 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydrochromen-4-amine is sourced from PubChem (CID 65406283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).