1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine

C16H19NOS — CID 115856930

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine
SMILESCNC(CCc1ccsc1)c1ccc2c(c1)COC2
InChIInChI=1S/C16H19NOS/c1-17-16(5-2-12-6-7-19-11-12)13-3-4-14-9-18-10-15(14)8-13/h3-4,6-8,11,16-17H,2,5,9-10H2,1H3
InChIKeyPOHSCQSRZHWTDO-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.67
Rot. Bonds5

About 1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine

1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine (PubChem CID 115856930) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine
PubChem CID115856930
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine
SMILESCNC(CCc1ccsc1)c1ccc2c(c1)COC2
InChIInChI=1S/C16H19NOS/c1-17-16(5-2-12-6-7-19-11-12)13-3-4-14-9-18-10-15(14)8-13/h3-4,6-8,11,16-17H,2,5,9-10H2,1H3
InChIKeyPOHSCQSRZHWTDO-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-4-phenylbutan-1-amine
CID 115849427
1-(4-bromo-3,5-dimethylphenyl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 114330528
1-(1,3-dihydro-2-benzofuran-5-yl)-N,3-dimethylbutan-1-amine
CID 63020410
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 115856908
2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine
CID 63019172
N-[1,3-dihydro-2-benzofuran-5-yl(thiophen-3-yl)methyl]ethanamine
CID 63020064
2-(2-bromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine
CID 115787083
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(furan-3-yl)-N-methylethanamine
CID 105029864
N-(thiophen-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-amine
CID 115881527
1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 115846765
N-methyl-1-thieno[3,2-b]pyridin-6-yl-3-thiophen-3-ylpropan-1-amine
CID 81143798
1-(1,3-dihydro-2-benzofuran-5-yl)-N,2-dimethylpropan-1-amine
CID 63018997

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine (CID 115856930) is 1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine is CNC(CCc1ccsc1)c1ccc2c(c1)COC2.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine?
The InChIKey is POHSCQSRZHWTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-17-16(5-2-12-6-7-19-11-12)13-3-4-14-9-18-10-15(14)8-13/h3-4,6-8,11,16-17H,2,5,9-10H2,1H3.
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine?
1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine has a molecular weight of 273.40 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 115856930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).