N-[1,3-dihydro-2-benzofuran-5-yl(thiophen-2-yl)methyl]propan-1-amine

C16H19NOS — CID 63020418

IUPACN-[1,3-dihydro-2-benzofuran-5-yl(thiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc2c(c1)COC2)c1cccs1
InChIInChI=1S/C16H19NOS/c1-2-7-17-16(15-4-3-8-19-15)12-5-6-13-10-18-11-14(13)9-12/h3-6,8-9,16-17H,2,7,10-11H2,1H3
InChIKeySAERJMIWKCRZIE-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.87
Rot. Bonds5

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

N-[1,3-dihydro-2-benzofuran-5-yl(thiophen-2-yl)methyl]propan-1-amine (PubChem CID 63020418) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is N-[1,3-dihydro-2-benzofuran-5-yl(thiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[1,3-dihydro-2-benzofuran-5-yl(thiophen-2-yl)methyl]propan-1-amine
PubChem CID63020418
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC NameN-[1,3-dihydro-2-benzofuran-5-yl(thiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc2c(c1)COC2)c1cccs1
InChIInChI=1S/C16H19NOS/c1-2-7-17-16(15-4-3-8-19-15)12-5-6-13-10-18-11-14(13)9-12/h3-6,8-9,16-17H,2,7,10-11H2,1H3
InChIKeySAERJMIWKCRZIE-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-5-[propylamino(thiophen-2-yl)methyl]-3H-indol-2-one
CID 43496797
N-[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]ethanamine
CID 43416858
N-[(4-bromothiophen-3-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine
CID 105010828
N-[(3,5-dimethylphenyl)-thiophen-2-ylmethyl]propan-1-amine
CID 43495957
N-[(4-bromophenyl)-thiophen-2-ylmethyl]propan-1-amine
CID 43494486
5-[propylamino(thiophen-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43496016
N-[(2-bromofuran-3-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine
CID 106851805
N-[cyclohexen-1-yl(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine
CID 63733717
1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-2-thiophen-2-ylethanamine
CID 63743167
N-[1,3-dihydro-2-benzofuran-5-yl-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105006538
1-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethyl-N-propylbutan-1-amine
CID 63021290
N-[1,3-dihydro-2-benzofuran-5-yl-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 63021107

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydro-2-benzofuran-5-yl(thiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[1,3-dihydro-2-benzofuran-5-yl(thiophen-2-yl)methyl]propan-1-amine (CID 63020418) is N-[1,3-dihydro-2-benzofuran-5-yl(thiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[1,3-dihydro-2-benzofuran-5-yl(thiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[1,3-dihydro-2-benzofuran-5-yl(thiophen-2-yl)methyl]propan-1-amine is CCCNC(c1ccc2c(c1)COC2)c1cccs1.
What is the InChIKey of N-[1,3-dihydro-2-benzofuran-5-yl(thiophen-2-yl)methyl]propan-1-amine?
The InChIKey is SAERJMIWKCRZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-2-7-17-16(15-4-3-8-19-15)12-5-6-13-10-18-11-14(13)9-12/h3-6,8-9,16-17H,2,7,10-11H2,1H3.
What are the key properties of N-[1,3-dihydro-2-benzofuran-5-yl(thiophen-2-yl)methyl]propan-1-amine?
N-[1,3-dihydro-2-benzofuran-5-yl(thiophen-2-yl)methyl]propan-1-amine has a molecular weight of 273.40 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydro-2-benzofuran-5-yl(thiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 63020418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).