N-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine

C13H17NOS — CID 61057521

IUPACN-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NCc1ccc(C)o1)c1cccs1
InChIInChI=1S/C13H17NOS/c1-3-12(13-5-4-8-16-13)14-9-11-7-6-10(2)15-11/h4-8,12,14H,3,9H2,1-2H3
InChIKeyGGGQRPPIVFOFDQ-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.89
Rot. Bonds5

About N-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine

N-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine (PubChem CID 61057521) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
PubChem CID61057521
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NCc1ccc(C)o1)c1cccs1
InChIInChI=1S/C13H17NOS/c1-3-12(13-5-4-8-16-13)14-9-11-7-6-10(2)15-11/h4-8,12,14H,3,9H2,1-2H3
InChIKeyGGGQRPPIVFOFDQ-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057757
(1R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 99821912
N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine
CID 43182619
N-[(4-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43201345
N-(1,3-dioxolan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 75504547
N-[(2-bromophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057752
N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057881
N-[(2,2-dimethylcyclopropyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 103902072
N-[(4-methoxy-3-methylphenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61058748
N-[(1-propylpyrrol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 66413550
2,6-difluoro-4-[(1-thiophen-2-ylpropylamino)methyl]phenol
CID 79831318
6-[(1-thiophen-2-ylpropylamino)methyl]pyridin-3-ol
CID 79782907

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine (CID 61057521) is N-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine is CCC(NCc1ccc(C)o1)c1cccs1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine?
The InChIKey is GGGQRPPIVFOFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-3-12(13-5-4-8-16-13)14-9-11-7-6-10(2)15-11/h4-8,12,14H,3,9H2,1-2H3.
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine?
N-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine has a molecular weight of 235.35 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 61057521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).