N-[(5-methylfuran-2-yl)methyl]-1-thiophen-3-ylethanamine

C12H15NOS — CID 62523324

IUPACN-[(5-methylfuran-2-yl)methyl]-1-thiophen-3-ylethanamine
SMILESCc1ccc(CNC(C)c2ccsc2)o1
InChIInChI=1S/C12H15NOS/c1-9-3-4-12(14-9)7-13-10(2)11-5-6-15-8-11/h3-6,8,10,13H,7H2,1-2H3
InChIKeyKSWAIGMJQXMJFX-UHFFFAOYSA-N
MW221.33 g/mol
LogP3.50
Rot. Bonds4

About N-[(5-methylfuran-2-yl)methyl]-1-thiophen-3-ylethanamine

N-[(5-methylfuran-2-yl)methyl]-1-thiophen-3-ylethanamine (PubChem CID 62523324) has the molecular formula C12H15NOS and a molecular weight of 221.33 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-1-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-1-thiophen-3-ylethanamine
PubChem CID62523324
Molecular FormulaC12H15NOS
Molecular Weight221.33 g/mol
Exact Mass221.09
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-1-thiophen-3-ylethanamine
SMILESCc1ccc(CNC(C)c2ccsc2)o1
InChIInChI=1S/C12H15NOS/c1-9-3-4-12(14-9)7-13-10(2)11-5-6-15-8-11/h3-6,8,10,13H,7H2,1-2H3
InChIKeyKSWAIGMJQXMJFX-UHFFFAOYSA-N
XLogP3.50
TPSA25.17 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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chlorofuran-2-yl)methyl]-1-thiophen-3-ylethanamine
CID 62840287
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylethanamine
CID 62091240
1-(4-ethylsulfanylphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 119114919
N-[(5-methylfuran-2-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 55081693
N-[(5-chlorothiophen-2-yl)methyl]-1-thiophen-3-ylethanamine
CID 62841664
N-[(5-methylfuran-2-yl)methyl]-1-(4-propoxyphenyl)ethanamine
CID 62048598
N-[(4-iodophenyl)methyl]-1-thiophen-3-ylethanamine
CID 65479418
(1R)-1-(furan-2-yl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 81402622
1-(3-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 54863619
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 61060969
N-[(4,5-dibromothiophen-2-yl)methyl]-1-thiophen-3-ylethanamine
CID 102835571
N-(1,2,4-oxadiazol-3-ylmethyl)-1-thiophen-3-ylethanamine
CID 106393064

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-1-thiophen-3-ylethanamine?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-1-thiophen-3-ylethanamine (CID 62523324) is N-[(5-methylfuran-2-yl)methyl]-1-thiophen-3-ylethanamine.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-1-thiophen-3-ylethanamine?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-1-thiophen-3-ylethanamine is Cc1ccc(CNC(C)c2ccsc2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-1-thiophen-3-ylethanamine?
The InChIKey is KSWAIGMJQXMJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-9-3-4-12(14-9)7-13-10(2)11-5-6-15-8-11/h3-6,8,10,13H,7H2,1-2H3.
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-1-thiophen-3-ylethanamine?
N-[(5-methylfuran-2-yl)methyl]-1-thiophen-3-ylethanamine has a molecular weight of 221.33 g/mol, XLogP of 3.50, 4 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-3-ylethanamine is sourced from PubChem (CID 62523324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).