N-[(4-methoxythiophen-2-yl)-thiophen-2-ylmethyl]ethanamine

C12H15NOS2 — CID 81128002

IUPACN-[(4-methoxythiophen-2-yl)-thiophen-2-ylmethyl]ethanamine
SMILESCCNC(c1cccs1)c1cc(OC)cs1
InChIInChI=1S/C12H15NOS2/c1-3-13-12(10-5-4-6-15-10)11-7-9(14-2)8-16-11/h4-8,12-13H,3H2,1-2H3
InChIKeyKCHYXQVCGTZGRC-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.52
Rot. Bonds5

About N-[(4-methoxythiophen-2-yl)-thiophen-2-ylmethyl]ethanamine

N-[(4-methoxythiophen-2-yl)-thiophen-2-ylmethyl]ethanamine (PubChem CID 81128002) has the molecular formula C12H15NOS2 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[(4-methoxythiophen-2-yl)-thiophen-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methoxythiophen-2-yl)-thiophen-2-ylmethyl]ethanamine
PubChem CID81128002
Molecular FormulaC12H15NOS2
Molecular Weight253.39 g/mol
Exact Mass253.06
IUPAC NameN-[(4-methoxythiophen-2-yl)-thiophen-2-ylmethyl]ethanamine
SMILESCCNC(c1cccs1)c1cc(OC)cs1
InChIInChI=1S/C12H15NOS2/c1-3-13-12(10-5-4-6-15-10)11-7-9(14-2)8-16-11/h4-8,12-13H,3H2,1-2H3
InChIKeyKCHYXQVCGTZGRC-UHFFFAOYSA-N
XLogP3.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 105013677
N-[(4-methoxythiophen-2-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 81126979
N-[(4-methoxythiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine
CID 105035974
N-[(4-fluoro-2,6-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 106878110
N-[(2,5-dimethylthiophen-3-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 81128007
N-[(3,5-dimethylthiophen-2-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 81156669
N-[(4-cyclopropyloxyphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 105051586
N-[(7-fluoro-1-benzofuran-2-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 105047600
N-[(4-bromo-2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 81127102
N-[(5-methylthiophen-3-yl)-thiophen-2-ylmethyl]ethanamine
CID 65104955
N-[3,4-dihydro-2H-pyran-6-yl-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 102649227
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 105048344

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxythiophen-2-yl)-thiophen-2-ylmethyl]ethanamine?
The IUPAC name of N-[(4-methoxythiophen-2-yl)-thiophen-2-ylmethyl]ethanamine (CID 81128002) is N-[(4-methoxythiophen-2-yl)-thiophen-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(4-methoxythiophen-2-yl)-thiophen-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(4-methoxythiophen-2-yl)-thiophen-2-ylmethyl]ethanamine is CCNC(c1cccs1)c1cc(OC)cs1.
What is the InChIKey of N-[(4-methoxythiophen-2-yl)-thiophen-2-ylmethyl]ethanamine?
The InChIKey is KCHYXQVCGTZGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS2/c1-3-13-12(10-5-4-6-15-10)11-7-9(14-2)8-16-11/h4-8,12-13H,3H2,1-2H3.
What are the key properties of N-[(4-methoxythiophen-2-yl)-thiophen-2-ylmethyl]ethanamine?
N-[(4-methoxythiophen-2-yl)-thiophen-2-ylmethyl]ethanamine has a molecular weight of 253.39 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxythiophen-2-yl)-thiophen-2-ylmethyl]ethanamine is sourced from PubChem (CID 81128002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).