N-[(2-methylfuran-3-yl)-thiophen-2-ylmethyl]propan-1-amine

C13H17NOS — CID 43495891

IUPACN-[(2-methylfuran-3-yl)-thiophen-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccs1)c1ccoc1C
InChIInChI=1S/C13H17NOS/c1-3-7-14-13(12-5-4-9-16-12)11-6-8-15-10(11)2/h4-6,8-9,13-14H,3,7H2,1-2H3
InChIKeyVMAPINXSBXFDBE-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.74
Rot. Bonds5

About N-[(2-methylfuran-3-yl)-thiophen-2-ylmethyl]propan-1-amine

N-[(2-methylfuran-3-yl)-thiophen-2-ylmethyl]propan-1-amine (PubChem CID 43495891) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[(2-methylfuran-3-yl)-thiophen-2-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-methylfuran-3-yl)-thiophen-2-ylmethyl]propan-1-amine
PubChem CID43495891
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC NameN-[(2-methylfuran-3-yl)-thiophen-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccs1)c1ccoc1C
InChIInChI=1S/C13H17NOS/c1-3-7-14-13(12-5-4-9-16-12)11-6-8-15-10(11)2/h4-6,8-9,13-14H,3,7H2,1-2H3
InChIKeyVMAPINXSBXFDBE-UHFFFAOYSA-N
XLogP3.74
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(2-methylfuran-3-yl)-1-thiophen-2-ylmethanamine
CID 43483393
N-[thiophen-2-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 64989890
N-[(2-methylfuran-3-yl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 43625510
N-[(3,6-dimethylpyridazin-4-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 105100685
N-[(2,3-dichlorophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 104790416
N-[(3,5-dimethylphenyl)-thiophen-2-ylmethyl]propan-1-amine
CID 43495957
N-[(3-methylthiophen-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43495885
N-(2,2-difluoro-1-thiophen-2-ylethyl)propan-1-amine
CID 103759718
N-[(2,5-dibromothiophen-3-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43497839
N-[(3-ethylphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 104790432
N-[(2-chloro-4,5-dimethylphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 115484143
N-[(4-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]propan-1-amine
CID 43495934

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylfuran-3-yl)-thiophen-2-ylmethyl]propan-1-amine?
The IUPAC name of N-[(2-methylfuran-3-yl)-thiophen-2-ylmethyl]propan-1-amine (CID 43495891) is N-[(2-methylfuran-3-yl)-thiophen-2-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(2-methylfuran-3-yl)-thiophen-2-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(2-methylfuran-3-yl)-thiophen-2-ylmethyl]propan-1-amine is CCCNC(c1cccs1)c1ccoc1C.
What is the InChIKey of N-[(2-methylfuran-3-yl)-thiophen-2-ylmethyl]propan-1-amine?
The InChIKey is VMAPINXSBXFDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-3-7-14-13(12-5-4-9-16-12)11-6-8-15-10(11)2/h4-6,8-9,13-14H,3,7H2,1-2H3.
What are the key properties of N-[(2-methylfuran-3-yl)-thiophen-2-ylmethyl]propan-1-amine?
N-[(2-methylfuran-3-yl)-thiophen-2-ylmethyl]propan-1-amine has a molecular weight of 235.35 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylfuran-3-yl)-thiophen-2-ylmethyl]propan-1-amine is sourced from PubChem (CID 43495891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).