N-[[3-(2-methylthiophen-3-yl)furan-2-yl]methyl]propan-2-amine

C13H17NOS — CID 106888284

IUPACN-[[3-(2-methylthiophen-3-yl)furan-2-yl]methyl]propan-2-amine
SMILESCc1sccc1-c1ccoc1CNC(C)C
InChIInChI=1S/C13H17NOS/c1-9(2)14-8-13-12(4-6-15-13)11-5-7-16-10(11)3/h4-7,9,14H,8H2,1-3H3
InChIKeyPQDQINWBISRHII-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.81
Rot. Bonds4

About N-[[3-(2-methylthiophen-3-yl)furan-2-yl]methyl]propan-2-amine

N-[[3-(2-methylthiophen-3-yl)furan-2-yl]methyl]propan-2-amine (PubChem CID 106888284) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[[3-(2-methylthiophen-3-yl)furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(2-methylthiophen-3-yl)furan-2-yl]methyl]propan-2-amine
PubChem CID106888284
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC NameN-[[3-(2-methylthiophen-3-yl)furan-2-yl]methyl]propan-2-amine
SMILESCc1sccc1-c1ccoc1CNC(C)C
InChIInChI=1S/C13H17NOS/c1-9(2)14-8-13-12(4-6-15-13)11-5-7-16-10(11)3/h4-7,9,14H,8H2,1-3H3
InChIKeyPQDQINWBISRHII-UHFFFAOYSA-N
XLogP3.81
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(2-fluorophenyl)furan-2-yl]methyl]propan-2-amine
CID 106887009
N-[[3-(2-chlorophenyl)furan-2-yl]methyl]propan-2-amine
CID 106886897
N-[(3-pyrimidin-5-ylfuran-2-yl)methyl]propan-2-amine
CID 106887002
N-[[3-(2-methoxy-4,6-dimethylphenyl)furan-2-yl]methyl]propan-2-amine
CID 106888367
N-[[3-(3-fluoro-4-pyridinyl)furan-2-yl]methyl]propan-2-amine
CID 106887993
N,N-dimethyl-4-[2-[(propan-2-ylamino)methyl]furan-3-yl]aniline
CID 106886715
N-[[3-(2-fluoro-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine
CID 106887918
N-[[3-(3-nitrophenyl)furan-2-yl]methyl]propan-2-amine
CID 106886933
N-[(3-isoquinolin-8-ylfuran-2-yl)methyl]propan-2-amine
CID 106888298
N-[[3-(2,3-dihydro-1-benzofuran-7-yl)furan-2-yl]methyl]propan-2-amine
CID 106888217
2-[(propan-2-ylamino)methyl]furan-3-carbonitrile
CID 106887928
N-[[3-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine
CID 106887042

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methylthiophen-3-yl)furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(2-methylthiophen-3-yl)furan-2-yl]methyl]propan-2-amine (CID 106888284) is N-[[3-(2-methylthiophen-3-yl)furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(2-methylthiophen-3-yl)furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(2-methylthiophen-3-yl)furan-2-yl]methyl]propan-2-amine is Cc1sccc1-c1ccoc1CNC(C)C.
What is the InChIKey of N-[[3-(2-methylthiophen-3-yl)furan-2-yl]methyl]propan-2-amine?
The InChIKey is PQDQINWBISRHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-9(2)14-8-13-12(4-6-15-13)11-5-7-16-10(11)3/h4-7,9,14H,8H2,1-3H3.
What are the key properties of N-[[3-(2-methylthiophen-3-yl)furan-2-yl]methyl]propan-2-amine?
N-[[3-(2-methylthiophen-3-yl)furan-2-yl]methyl]propan-2-amine has a molecular weight of 235.35 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methylthiophen-3-yl)furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 106888284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).