1-(furan-3-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine

C14H17NOS — CID 115855651

IUPAC1-(furan-3-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
SMILESCNC(c1ccoc1)c1cc2c(s1)CCCC2
InChIInChI=1S/C14H17NOS/c1-15-14(11-6-7-16-9-11)13-8-10-4-2-3-5-12(10)17-13/h6-9,14-15H,2-5H2,1H3
InChIKeyBFBIFWJKSRSKKN-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.53
Rot. Bonds3

About 1-(furan-3-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine

1-(furan-3-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine (PubChem CID 115855651) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-(furan-3-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine.

Molecular Properties

Compound Name1-(furan-3-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
PubChem CID115855651
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name1-(furan-3-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
SMILESCNC(c1ccoc1)c1cc2c(s1)CCCC2
InChIInChI=1S/C14H17NOS/c1-15-14(11-6-7-16-9-11)13-8-10-4-2-3-5-12(10)17-13/h6-9,14-15H,2-5H2,1H3
InChIKeyBFBIFWJKSRSKKN-UHFFFAOYSA-N
XLogP3.53
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[furan-3-yl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]propan-1-amine
CID 115855474
2-(furan-3-yl)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine
CID 105030057
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methyl-1-thiophen-3-ylmethanamine
CID 104988236
1-(cyclopenten-1-yl)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine
CID 62078344
1-(3-methoxyphenyl)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine
CID 115785734
1-(cyclohepten-1-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine
CID 62078546
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine
CID 80533140
1-(5-chlorothiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine
CID 43485370
N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(2,4,6-trifluorophenyl)methanamine
CID 43483141
1-(3-chlorothiophen-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
CID 80528884
1-(2-methoxyphenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
CID 115793274
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 115853789

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine?
The IUPAC name of 1-(furan-3-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine (CID 115855651) is 1-(furan-3-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine.
What is the SMILES notation for 1-(furan-3-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine?
The canonical SMILES for 1-(furan-3-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine is CNC(c1ccoc1)c1cc2c(s1)CCCC2.
What is the InChIKey of 1-(furan-3-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine?
The InChIKey is BFBIFWJKSRSKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-15-14(11-6-7-16-9-11)13-8-10-4-2-3-5-12(10)17-13/h6-9,14-15H,2-5H2,1H3.
What are the key properties of 1-(furan-3-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine?
1-(furan-3-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine has a molecular weight of 247.36 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine is sourced from PubChem (CID 115855651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).