N-[(3-methylfuran-2-yl)-(5-methylthiophen-3-yl)methyl]propan-1-amine

C14H19NOS — CID 104805742

IUPACN-[(3-methylfuran-2-yl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1csc(C)c1)c1occc1C
InChIInChI=1S/C14H19NOS/c1-4-6-15-13(12-8-11(3)17-9-12)14-10(2)5-7-16-14/h5,7-9,13,15H,4,6H2,1-3H3
InChIKeyIONZVIPHOLZRHL-UHFFFAOYSA-N
MW249.38 g/mol
LogP4.05
Rot. Bonds5

About N-[(3-methylfuran-2-yl)-(5-methylthiophen-3-yl)methyl]propan-1-amine

N-[(3-methylfuran-2-yl)-(5-methylthiophen-3-yl)methyl]propan-1-amine (PubChem CID 104805742) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is N-[(3-methylfuran-2-yl)-(5-methylthiophen-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-methylfuran-2-yl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
PubChem CID104805742
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC NameN-[(3-methylfuran-2-yl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1csc(C)c1)c1occc1C
InChIInChI=1S/C14H19NOS/c1-4-6-15-13(12-8-11(3)17-9-12)14-10(2)5-7-16-14/h5,7-9,13,15H,4,6H2,1-3H3
InChIKeyIONZVIPHOLZRHL-UHFFFAOYSA-N
XLogP4.05
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methylthiophen-3-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 65104445
N-[(3-bromofuran-2-yl)-(5-bromothiophen-3-yl)methyl]propan-1-amine
CID 105150670
N-[(4-tert-butylphenyl)-(3-methylfuran-2-yl)methyl]propan-1-amine
CID 43496415
N-[(2,4-dimethylphenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 104991554
N-[(5-bromo-2-methylphenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 104991139
N-[(2-methyl-1,3-oxazol-4-yl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 114282671
N-[(3-methylfuran-2-yl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 103302837
N-[(2-chloro-4,5-dimethylphenyl)-(3-methylfuran-2-yl)methyl]propan-1-amine
CID 115484217
N-[(2-bromo-3-methylphenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 107985069
2-methyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 65104961
N-[(6-methyl-2-pyridinyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 65104755
N-[(2,6-difluorophenyl)-(3-methylfuran-2-yl)methyl]propan-1-amine
CID 104806139

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylfuran-2-yl)-(5-methylthiophen-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-methylfuran-2-yl)-(5-methylthiophen-3-yl)methyl]propan-1-amine (CID 104805742) is N-[(3-methylfuran-2-yl)-(5-methylthiophen-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-methylfuran-2-yl)-(5-methylthiophen-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-methylfuran-2-yl)-(5-methylthiophen-3-yl)methyl]propan-1-amine is CCCNC(c1csc(C)c1)c1occc1C.
What is the InChIKey of N-[(3-methylfuran-2-yl)-(5-methylthiophen-3-yl)methyl]propan-1-amine?
The InChIKey is IONZVIPHOLZRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-4-6-15-13(12-8-11(3)17-9-12)14-10(2)5-7-16-14/h5,7-9,13,15H,4,6H2,1-3H3.
What are the key properties of N-[(3-methylfuran-2-yl)-(5-methylthiophen-3-yl)methyl]propan-1-amine?
N-[(3-methylfuran-2-yl)-(5-methylthiophen-3-yl)methyl]propan-1-amine has a molecular weight of 249.38 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylfuran-2-yl)-(5-methylthiophen-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 104805742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).