N-[[6-methyl-3-(thiophen-2-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine

C15H20N2OS — CID 79151007

IUPACN-[[6-methyl-3-(thiophen-2-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine
SMILESCc1ccc(OCc2cccs2)c(CNC(C)C)n1
InChIInChI=1S/C15H20N2OS/c1-11(2)16-9-14-15(7-6-12(3)17-14)18-10-13-5-4-8-19-13/h4-8,11,16H,9-10H2,1-3H3
InChIKeyCJBUSDVXYPNLKW-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.53
Rot. Bonds6

About N-[[6-methyl-3-(thiophen-2-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine

N-[[6-methyl-3-(thiophen-2-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine (PubChem CID 79151007) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is N-[[6-methyl-3-(thiophen-2-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-methyl-3-(thiophen-2-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine
PubChem CID79151007
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC NameN-[[6-methyl-3-(thiophen-2-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine
SMILESCc1ccc(OCc2cccs2)c(CNC(C)C)n1
InChIInChI=1S/C15H20N2OS/c1-11(2)16-9-14-15(7-6-12(3)17-14)18-10-13-5-4-8-19-13/h4-8,11,16H,9-10H2,1-3H3
InChIKeyCJBUSDVXYPNLKW-UHFFFAOYSA-N
XLogP3.53
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[6-methyl-3-(thiophen-2-ylmethoxy)-2-pyridinyl]methanamine
CID 79150645
N-[[5-methyl-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 63326619
N-[[6-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 79150848
N-[[6-methyl-3-(oxan-4-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79151236
N-[[6-methyl-3-(2-phenylethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79158258
N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 60657605
methyl 3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]propanoate
CID 79151614
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 60880650
N-[(6-methyl-3-pent-4-ynoxy-2-pyridinyl)methyl]propan-2-amine
CID 113374142
N-[(3-butan-2-yloxy-6-methyl-2-pyridinyl)methyl]propan-2-amine
CID 79150768
3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]propanamide
CID 79151234
N-[[5-nitro-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 60889783

Frequently Asked Questions

What is the IUPAC name of N-[[6-methyl-3-(thiophen-2-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[6-methyl-3-(thiophen-2-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine (CID 79151007) is N-[[6-methyl-3-(thiophen-2-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-methyl-3-(thiophen-2-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-methyl-3-(thiophen-2-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine is Cc1ccc(OCc2cccs2)c(CNC(C)C)n1.
What is the InChIKey of N-[[6-methyl-3-(thiophen-2-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is CJBUSDVXYPNLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-11(2)16-9-14-15(7-6-12(3)17-14)18-10-13-5-4-8-19-13/h4-8,11,16H,9-10H2,1-3H3.
What are the key properties of N-[[6-methyl-3-(thiophen-2-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine?
N-[[6-methyl-3-(thiophen-2-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 276.40 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-methyl-3-(thiophen-2-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 79151007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).