1-(2-methylfuran-3-yl)-3-thiophen-3-ylpropan-1-amine

C12H15NOS — CID 104789822

IUPAC1-(2-methylfuran-3-yl)-3-thiophen-3-ylpropan-1-amine
SMILESCc1occc1C(N)CCc1ccsc1
InChIInChI=1S/C12H15NOS/c1-9-11(4-6-14-9)12(13)3-2-10-5-7-15-8-10/h4-8,12H,2-3,13H2,1H3
InChIKeyNDRSYWZUMZGYMP-UHFFFAOYSA-N
MW221.33 g/mol
LogP3.28
Rot. Bonds4

About 1-(2-methylfuran-3-yl)-3-thiophen-3-ylpropan-1-amine

1-(2-methylfuran-3-yl)-3-thiophen-3-ylpropan-1-amine (PubChem CID 104789822) has the molecular formula C12H15NOS and a molecular weight of 221.33 g/mol. Its IUPAC name is 1-(2-methylfuran-3-yl)-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2-methylfuran-3-yl)-3-thiophen-3-ylpropan-1-amine
PubChem CID104789822
Molecular FormulaC12H15NOS
Molecular Weight221.33 g/mol
Exact Mass221.09
IUPAC Name1-(2-methylfuran-3-yl)-3-thiophen-3-ylpropan-1-amine
SMILESCc1occc1C(N)CCc1ccsc1
InChIInChI=1S/C12H15NOS/c1-9-11(4-6-14-9)12(13)3-2-10-5-7-15-8-10/h4-8,12H,2-3,13H2,1H3
InChIKeyNDRSYWZUMZGYMP-UHFFFAOYSA-N
XLogP3.28
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylfuran-3-yl)-3-phenylpropan-1-amine
CID 104789711
1-(2-methylfuran-3-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 104790467
1-(2-methylsulfanylphenyl)-3-thiophen-3-ylpropan-1-amine
CID 115857234
1-(3-methylfuran-2-yl)-3-thiophen-3-ylpropan-1-ol
CID 104800835
1-(2-methylfuran-3-yl)butan-1-amine
CID 82416832
1-(3-chloro-2-methylphenyl)-3-thiophen-3-ylpropan-1-amine
CID 107102339
1-(3-bromo-2-methylphenyl)-3-thiophen-3-ylpropan-1-amine
CID 115857115
1-(2-methyl-4-pyridinyl)-3-thiophen-3-ylpropan-1-amine
CID 106755330
1-(2-chlorofuran-3-yl)-3-thiophen-3-ylpropan-1-ol
CID 106693735
1-(2,5-dichlorophenyl)-3-thiophen-3-ylpropan-1-amine
CID 115857028
1-(5-chlorofuran-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 106692043
1-(2-bromofuran-3-yl)-2-thiophen-3-ylethanamine
CID 106854638

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylfuran-3-yl)-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of 1-(2-methylfuran-3-yl)-3-thiophen-3-ylpropan-1-amine (CID 104789822) is 1-(2-methylfuran-3-yl)-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 1-(2-methylfuran-3-yl)-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 1-(2-methylfuran-3-yl)-3-thiophen-3-ylpropan-1-amine is Cc1occc1C(N)CCc1ccsc1.
What is the InChIKey of 1-(2-methylfuran-3-yl)-3-thiophen-3-ylpropan-1-amine?
The InChIKey is NDRSYWZUMZGYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-9-11(4-6-14-9)12(13)3-2-10-5-7-15-8-10/h4-8,12H,2-3,13H2,1H3.
What are the key properties of 1-(2-methylfuran-3-yl)-3-thiophen-3-ylpropan-1-amine?
1-(2-methylfuran-3-yl)-3-thiophen-3-ylpropan-1-amine has a molecular weight of 221.33 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylfuran-3-yl)-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 104789822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).