2-methyl-N-[[4-(thiophen-2-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine

C15H20N2OS — CID 81250459

IUPAC2-methyl-N-[[4-(thiophen-2-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCC(C)CNCc1cnccc1OCc1cccs1
InChIInChI=1S/C15H20N2OS/c1-12(2)8-17-10-13-9-16-6-5-15(13)18-11-14-4-3-7-19-14/h3-7,9,12,17H,8,10-11H2,1-2H3
InChIKeyZRSGMNOGMQUPLB-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.47
Rot. Bonds7

About 2-methyl-N-[[4-(thiophen-2-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine

2-methyl-N-[[4-(thiophen-2-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 81250459) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-methyl-N-[[4-(thiophen-2-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-(thiophen-2-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine
PubChem CID81250459
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name2-methyl-N-[[4-(thiophen-2-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCC(C)CNCc1cnccc1OCc1cccs1
InChIInChI=1S/C15H20N2OS/c1-12(2)8-17-10-13-9-16-6-5-15(13)18-11-14-4-3-7-19-14/h3-7,9,12,17H,8,10-11H2,1-2H3
InChIKeyZRSGMNOGMQUPLB-UHFFFAOYSA-N
XLogP3.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[[4-(thiophen-2-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-fluoro-2-(thiophen-2-ylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105391402
N-[[4-methoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63058853
N-[[5-chloro-2-(thiophen-2-ylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114928566
2-methyl-N-[[4-(oxan-4-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81250243
N-[(4-heptoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 81254076
2-methyl-N-[[6-methyl-4-(2-thiophen-2-ylethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81253361
2-methyl-N-[[4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-3-pyridinyl]methyl]propan-1-amine
CID 81253660
1-[(4-methyl-3-pyridinyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 114955607
N-[[3-fluoro-2-(2-thiophen-2-ylethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105391410
N-[[4-(1-ethoxypropan-2-yloxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 103490454
N-[[5-chloro-2-(2-thiophen-2-ylethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114928581
1-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]propan-2-ol
CID 4715930

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(thiophen-2-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[4-(thiophen-2-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine (CID 81250459) is 2-methyl-N-[[4-(thiophen-2-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[4-(thiophen-2-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[4-(thiophen-2-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine is CC(C)CNCc1cnccc1OCc1cccs1.
What is the InChIKey of 2-methyl-N-[[4-(thiophen-2-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is ZRSGMNOGMQUPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-12(2)8-17-10-13-9-16-6-5-15(13)18-11-14-4-3-7-19-14/h3-7,9,12,17H,8,10-11H2,1-2H3.
What are the key properties of 2-methyl-N-[[4-(thiophen-2-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine?
2-methyl-N-[[4-(thiophen-2-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 276.40 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(thiophen-2-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 81250459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).