N-[2,3-dihydrofuran-5-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]propan-1-amine

C16H23NOS — CID 102653122

IUPACN-[2,3-dihydrofuran-5-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCO1)c1cc2c(s1)CCCC2
InChIInChI=1S/C16H23NOS/c1-2-9-17-16(13-7-5-10-18-13)15-11-12-6-3-4-8-14(12)19-15/h7,11,16-17H,2-6,8-10H2,1H3
InChIKeyABOCPGWHVGFJFD-UHFFFAOYSA-N
MW277.43 g/mol
LogP3.97
Rot. Bonds5

About N-[2,3-dihydrofuran-5-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]propan-1-amine

N-[2,3-dihydrofuran-5-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]propan-1-amine (PubChem CID 102653122) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is N-[2,3-dihydrofuran-5-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[2,3-dihydrofuran-5-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]propan-1-amine
PubChem CID102653122
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC NameN-[2,3-dihydrofuran-5-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCO1)c1cc2c(s1)CCCC2
InChIInChI=1S/C16H23NOS/c1-2-9-17-16(13-7-5-10-18-13)15-11-12-6-3-4-8-14(12)19-15/h7,11,16-17H,2-6,8-10H2,1H3
InChIKeyABOCPGWHVGFJFD-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2,3-dihydrofuran-5-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]propan-1-amine with MolForge

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Related Compounds

N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102653168
N-[2,3-dihydrofuran-5-yl(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]propan-1-amine
CID 102653289
[2,3-dihydrofuran-5-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine
CID 102654422
N-[cyclopenten-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]propan-1-amine
CID 63506305
N-[furan-3-yl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]propan-1-amine
CID 115855474
N-propyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentan-1-amine
CID 115832731
N-[1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethyl]propan-1-amine
CID 115780103
N-[2,3-dihydrofuran-5-yl-(6-fluoro-1-benzothiophen-2-yl)methyl]propan-1-amine
CID 102653288
3-ethyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine
CID 105028115
3-ethyl-N-propyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentan-1-amine
CID 105028097
N-[(4-chlorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]propan-1-amine
CID 43494735
N-[(3-bromofuran-2-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]propan-1-amine
CID 115861372

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydrofuran-5-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[2,3-dihydrofuran-5-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]propan-1-amine (CID 102653122) is N-[2,3-dihydrofuran-5-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[2,3-dihydrofuran-5-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[2,3-dihydrofuran-5-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]propan-1-amine is CCCNC(C1=CCCO1)c1cc2c(s1)CCCC2.
What is the InChIKey of N-[2,3-dihydrofuran-5-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]propan-1-amine?
The InChIKey is ABOCPGWHVGFJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-2-9-17-16(13-7-5-10-18-13)15-11-12-6-3-4-8-14(12)19-15/h7,11,16-17H,2-6,8-10H2,1H3.
What are the key properties of N-[2,3-dihydrofuran-5-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]propan-1-amine?
N-[2,3-dihydrofuran-5-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]propan-1-amine has a molecular weight of 277.43 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydrofuran-5-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 102653122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).