2-methyl-N-[[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-2-amine

C16H22N2OS — CID 79794362

IUPAC2-methyl-N-[[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1ccc(OCCc2cccs2)cn1
InChIInChI=1S/C16H22N2OS/c1-16(2,3)18-11-13-6-7-14(12-17-13)19-9-8-15-5-4-10-20-15/h4-7,10,12,18H,8-9,11H2,1-3H3
InChIKeyODXMOWJKFJLZEU-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.65
Rot. Bonds6

About 2-methyl-N-[[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-2-amine

2-methyl-N-[[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-2-amine (PubChem CID 79794362) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-methyl-N-[[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-2-amine
PubChem CID79794362
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name2-methyl-N-[[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1ccc(OCCc2cccs2)cn1
InChIInChI=1S/C16H22N2OS/c1-16(2,3)18-11-13-6-7-14(12-17-13)19-9-8-15-5-4-10-20-15/h4-7,10,12,18H,8-9,11H2,1-3H3
InChIKeyODXMOWJKFJLZEU-UHFFFAOYSA-N
XLogP3.65
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79781683
2-methyl-N-[[6-(2-thiophen-2-ylethoxy)pyrazin-2-yl]methyl]propan-2-amine
CID 66465894
N-[[5-(4-methoxybutoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 104647123
2-methyl-N-[[5-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methyl]propan-2-amine
CID 102999863
2-methyl-N-[[5-(3-methylbutoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79794003
N-[(5-but-3-ynoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 79794973
1-[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]ethanone
CID 83119183
N-[[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 79788512
N-[[5-[(3-bromothiophen-2-yl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 79794186
N-[1-[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]ethyl]propan-1-amine
CID 83124267
N-methyl-1-[4-(2-thiophen-2-ylethoxy)-2-pyridinyl]methanamine
CID 62321572
N-[[5-(2-ethylbutoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 82927537

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-2-amine (CID 79794362) is 2-methyl-N-[[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-2-amine is CC(C)(C)NCc1ccc(OCCc2cccs2)cn1.
What is the InChIKey of 2-methyl-N-[[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is ODXMOWJKFJLZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-16(2,3)18-11-13-6-7-14(12-17-13)19-9-8-15-5-4-10-20-15/h4-7,10,12,18H,8-9,11H2,1-3H3.
What are the key properties of 2-methyl-N-[[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-2-amine?
2-methyl-N-[[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 290.43 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 79794362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).