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

C11H12ClNOS — CID 62840287

IUPACN-[(5-chlorofuran-2-yl)methyl]-1-thiophen-3-ylethanamine
SMILESCC(NCc1ccc(Cl)o1)c1ccsc1
InChIInChI=1S/C11H12ClNOS/c1-8(9-4-5-15-7-9)13-6-10-2-3-11(12)14-10/h2-5,7-8,13H,6H2,1H3
InChIKeyVIJHNEKLEJXYQT-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.85
Rot. Bonds4

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

N-[(5-chlorofuran-2-yl)methyl]-1-thiophen-3-ylethanamine (PubChem CID 62840287) has the molecular formula C11H12ClNOS and a molecular weight of 241.74 g/mol. Its IUPAC name is N-[(5-chlorofuran-2-yl)methyl]-1-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[(5-chlorofuran-2-yl)methyl]-1-thiophen-3-ylethanamine
PubChem CID62840287
Molecular FormulaC11H12ClNOS
Molecular Weight241.74 g/mol
Exact Mass241.03
IUPAC NameN-[(5-chlorofuran-2-yl)methyl]-1-thiophen-3-ylethanamine
SMILESCC(NCc1ccc(Cl)o1)c1ccsc1
InChIInChI=1S/C11H12ClNOS/c1-8(9-4-5-15-7-9)13-6-10-2-3-11(12)14-10/h2-5,7-8,13H,6H2,1H3
InChIKeyVIJHNEKLEJXYQT-UHFFFAOYSA-N
XLogP3.85
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methylfuran-2-yl)methyl]-1-thiophen-3-ylethanamine
CID 62523324
N-[(5-chlorothiophen-2-yl)methyl]-1-thiophen-3-ylethanamine
CID 62841664
(1S)-N-[(5-chlorofuran-2-yl)methyl]-1-(4-ethoxyphenyl)ethanamine
CID 93317247
(1S)-N-[(5-chlorofuran-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 78951148
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylethanamine
CID 62091240
N-[(5-chlorofuran-2-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 54863574
(2S)-2-[(5-chlorofuran-2-yl)methylamino]propan-1-ol
CID 93318255
(2R)-2-[(5-chlorofuran-2-yl)methylamino]propan-1-ol
CID 93318256
N-[(4-iodophenyl)methyl]-1-thiophen-3-ylethanamine
CID 65479418
N-[(5-chlorofuran-2-yl)methyl]-3-ethylpentan-2-amine
CID 63842241
N-[(5-chlorofuran-2-yl)methyl]-5-methylhexan-2-amine
CID 60663070
N-(1,2,4-oxadiazol-3-ylmethyl)-1-thiophen-3-ylethanamine
CID 106393064

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-1-thiophen-3-ylethanamine?
The IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-1-thiophen-3-ylethanamine (CID 62840287) is N-[(5-chlorofuran-2-yl)methyl]-1-thiophen-3-ylethanamine.
What is the SMILES notation for N-[(5-chlorofuran-2-yl)methyl]-1-thiophen-3-ylethanamine?
The canonical SMILES for N-[(5-chlorofuran-2-yl)methyl]-1-thiophen-3-ylethanamine is CC(NCc1ccc(Cl)o1)c1ccsc1.
What is the InChIKey of N-[(5-chlorofuran-2-yl)methyl]-1-thiophen-3-ylethanamine?
The InChIKey is VIJHNEKLEJXYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNOS/c1-8(9-4-5-15-7-9)13-6-10-2-3-11(12)14-10/h2-5,7-8,13H,6H2,1H3.
What are the key properties of N-[(5-chlorofuran-2-yl)methyl]-1-thiophen-3-ylethanamine?
N-[(5-chlorofuran-2-yl)methyl]-1-thiophen-3-ylethanamine has a molecular weight of 241.74 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorofuran-2-yl)methyl]-1-thiophen-3-ylethanamine is sourced from PubChem (CID 62840287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).