N-methyl-1-[4-(2-thiophen-2-ylethoxy)-2-pyridinyl]methanamine

C13H16N2OS — CID 62321572

IUPACN-methyl-1-[4-(2-thiophen-2-ylethoxy)-2-pyridinyl]methanamine
SMILESCNCc1cc(OCCc2cccs2)ccn1
InChIInChI=1S/C13H16N2OS/c1-14-10-11-9-12(4-6-15-11)16-7-5-13-3-2-8-17-13/h2-4,6,8-9,14H,5,7,10H2,1H3
InChIKeyMVYPENGKAMEPKR-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.48
Rot. Bonds6

About N-methyl-1-[4-(2-thiophen-2-ylethoxy)-2-pyridinyl]methanamine

N-methyl-1-[4-(2-thiophen-2-ylethoxy)-2-pyridinyl]methanamine (PubChem CID 62321572) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is N-methyl-1-[4-(2-thiophen-2-ylethoxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(2-thiophen-2-ylethoxy)-2-pyridinyl]methanamine
PubChem CID62321572
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC NameN-methyl-1-[4-(2-thiophen-2-ylethoxy)-2-pyridinyl]methanamine
SMILESCNCc1cc(OCCc2cccs2)ccn1
InChIInChI=1S/C13H16N2OS/c1-14-10-11-9-12(4-6-15-11)16-7-5-13-3-2-8-17-13/h2-4,6,8-9,14H,5,7,10H2,1H3
InChIKeyMVYPENGKAMEPKR-UHFFFAOYSA-N
XLogP2.48
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(thiophen-2-ylmethoxy)-2-pyridinyl]methanamine
CID 62321392
2-methyl-N-[[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79794362
N-methyl-1-[2-(thiophen-2-ylmethyl)pyrimidin-4-yl]methanamine
CID 62748083
1-[4-[2-(3-methoxypropoxy)ethoxy]-2-pyridinyl]-N-methylmethanamine
CID 103180750
N-[[3-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine
CID 63776029
N-[[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79781683
2-[2-(3-ethylphenoxy)ethyl]thiophene
CID 64764928
[2-methyl-4-(2-thiophen-2-ylethoxy)phenyl]methanamine
CID 81278557
4-(2-thiophen-2-ylethoxy)benzene-1,2-diamine
CID 106748443
2-(ethylaminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-4-amine
CID 79486163
N-methyl-1-[2-methyl-4-(2-thiophen-2-ylethoxy)pyrimidin-5-yl]methanamine
CID 114217140
1-[4-[(3-chlorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 65125148

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(2-thiophen-2-ylethoxy)-2-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[4-(2-thiophen-2-ylethoxy)-2-pyridinyl]methanamine (CID 62321572) is N-methyl-1-[4-(2-thiophen-2-ylethoxy)-2-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(2-thiophen-2-ylethoxy)-2-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[4-(2-thiophen-2-ylethoxy)-2-pyridinyl]methanamine is CNCc1cc(OCCc2cccs2)ccn1.
What is the InChIKey of N-methyl-1-[4-(2-thiophen-2-ylethoxy)-2-pyridinyl]methanamine?
The InChIKey is MVYPENGKAMEPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-14-10-11-9-12(4-6-15-11)16-7-5-13-3-2-8-17-13/h2-4,6,8-9,14H,5,7,10H2,1H3.
What are the key properties of N-methyl-1-[4-(2-thiophen-2-ylethoxy)-2-pyridinyl]methanamine?
N-methyl-1-[4-(2-thiophen-2-ylethoxy)-2-pyridinyl]methanamine has a molecular weight of 248.35 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(2-thiophen-2-ylethoxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 62321572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).