N-[(5-methylthiophen-3-yl)-thiophen-2-ylmethyl]ethanamine

C12H15NS2 — CID 65104955

IUPACN-[(5-methylthiophen-3-yl)-thiophen-2-ylmethyl]ethanamine
SMILESCCNC(c1csc(C)c1)c1cccs1
InChIInChI=1S/C12H15NS2/c1-3-13-12(11-5-4-6-14-11)10-7-9(2)15-8-10/h4-8,12-13H,3H2,1-2H3
InChIKeyDTVXTXDIRVJQBL-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.82
Rot. Bonds4

About N-[(5-methylthiophen-3-yl)-thiophen-2-ylmethyl]ethanamine

N-[(5-methylthiophen-3-yl)-thiophen-2-ylmethyl]ethanamine (PubChem CID 65104955) has the molecular formula C12H15NS2 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-[(5-methylthiophen-3-yl)-thiophen-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(5-methylthiophen-3-yl)-thiophen-2-ylmethyl]ethanamine
PubChem CID65104955
Molecular FormulaC12H15NS2
Molecular Weight237.39 g/mol
Exact Mass237.06
IUPAC NameN-[(5-methylthiophen-3-yl)-thiophen-2-ylmethyl]ethanamine
SMILESCCNC(c1csc(C)c1)c1cccs1
InChIInChI=1S/C12H15NS2/c1-3-13-12(11-5-4-6-14-11)10-7-9(2)15-8-10/h4-8,12-13H,3H2,1-2H3
InChIKeyDTVXTXDIRVJQBL-UHFFFAOYSA-N
XLogP3.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethylphenyl)-(5-methylthiophen-3-yl)methyl]ethanamine
CID 65104551
N-[(5-methylfuran-2-yl)-(5-methylthiophen-3-yl)methyl]ethanamine
CID 104991414
N-[(5-methylthiophen-3-yl)-pyridin-2-ylmethyl]ethanamine
CID 65105127
N-[(4-propylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 43393768
N-[(4-phenylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 43489570
N-[furan-3-yl-(5-methylthiophen-3-yl)methyl]ethanamine
CID 65104639
N-[(4-fluoro-2,6-dimethylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 106878086
N-[(3-bromo-5-fluorophenyl)-thiophen-2-ylmethyl]ethanamine
CID 43490530
N-[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]ethanamine
CID 43416858
N-[(4-methoxythiophen-2-yl)-thiophen-2-ylmethyl]ethanamine
CID 81128002
N-[(3-methoxy-4-methylphenyl)-(5-methylthiophen-3-yl)methyl]ethanamine
CID 104991351
N-[(2-methylpyrimidin-4-yl)-(5-methylthiophen-3-yl)methyl]ethanamine
CID 113329606

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-3-yl)-thiophen-2-ylmethyl]ethanamine?
The IUPAC name of N-[(5-methylthiophen-3-yl)-thiophen-2-ylmethyl]ethanamine (CID 65104955) is N-[(5-methylthiophen-3-yl)-thiophen-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(5-methylthiophen-3-yl)-thiophen-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(5-methylthiophen-3-yl)-thiophen-2-ylmethyl]ethanamine is CCNC(c1csc(C)c1)c1cccs1.
What is the InChIKey of N-[(5-methylthiophen-3-yl)-thiophen-2-ylmethyl]ethanamine?
The InChIKey is DTVXTXDIRVJQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS2/c1-3-13-12(11-5-4-6-14-11)10-7-9(2)15-8-10/h4-8,12-13H,3H2,1-2H3.
What are the key properties of N-[(5-methylthiophen-3-yl)-thiophen-2-ylmethyl]ethanamine?
N-[(5-methylthiophen-3-yl)-thiophen-2-ylmethyl]ethanamine has a molecular weight of 237.39 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-3-yl)-thiophen-2-ylmethyl]ethanamine is sourced from PubChem (CID 65104955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).