1-(3,4-dihydro-2H-chromen-3-yl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine

C18H23NOS — CID 65410299

IUPAC1-(3,4-dihydro-2H-chromen-3-yl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine
SMILESCCc1ccc(CC(NC)C2COc3ccccc3C2)s1
InChIInChI=1S/C18H23NOS/c1-3-15-8-9-16(21-15)11-17(19-2)14-10-13-6-4-5-7-18(13)20-12-14/h4-9,14,17,19H,3,10-12H2,1-2H3
InChIKeyPZYBUSBXFKMZCK-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.69
Rot. Bonds5

About 1-(3,4-dihydro-2H-chromen-3-yl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine

1-(3,4-dihydro-2H-chromen-3-yl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine (PubChem CID 65410299) has the molecular formula C18H23NOS and a molecular weight of 301.46 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-3-yl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-3-yl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine
PubChem CID65410299
Molecular FormulaC18H23NOS
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC Name1-(3,4-dihydro-2H-chromen-3-yl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine
SMILESCCc1ccc(CC(NC)C2COc3ccccc3C2)s1
InChIInChI=1S/C18H23NOS/c1-3-15-8-9-16(21-15)11-17(19-2)14-10-13-6-4-5-7-18(13)20-12-14/h4-9,14,17,19H,3,10-12H2,1-2H3
InChIKeyPZYBUSBXFKMZCK-UHFFFAOYSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-chromen-3-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107049572
1-(3,4-dihydro-2H-chromen-3-yl)-N-ethyl-2-phenylethanamine
CID 65410502
1-(4,4-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 65391425
1-(3,4-dihydro-2H-chromen-3-yl)-N-ethyl-5-methylhexan-1-amine
CID 83161048
2-(5-ethylthiophen-2-yl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 65425118
1-(3,4-dihydro-2H-chromen-3-yl)hexylhydrazine
CID 105234038
1-(3,4-dihydro-2H-chromen-3-yl)-N-ethylbut-3-en-1-amine
CID 65412063
1-(3,4-dihydro-2H-chromen-3-yl)-N-ethylpent-3-yn-1-amine
CID 65410110
1-(3,4-dihydro-2H-chromen-3-yl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 65410695
2-(5-ethylthiophen-2-yl)-N-methyl-1-(2-methylcyclopropyl)ethanamine
CID 65422780
1-(2,6-difluorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)-N-methylmethanamine
CID 65409515
1-(3,4-dihydro-2H-chromen-3-yl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 65411667

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine (CID 65410299) is 1-(3,4-dihydro-2H-chromen-3-yl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-3-yl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-3-yl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine is CCc1ccc(CC(NC)C2COc3ccccc3C2)s1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-3-yl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine?
The InChIKey is PZYBUSBXFKMZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-3-15-8-9-16(21-15)11-17(19-2)14-10-13-6-4-5-7-18(13)20-12-14/h4-9,14,17,19H,3,10-12H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-3-yl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine?
1-(3,4-dihydro-2H-chromen-3-yl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine has a molecular weight of 301.46 g/mol, XLogP of 3.69, 5 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-3-yl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine is sourced from PubChem (CID 65410299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).