N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine

C15H20N2OS — CID 114936828

IUPACN-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
SMILESCOc1ccc(CNCC(C)(C)c2cccs2)cn1
InChIInChI=1S/C15H20N2OS/c1-15(2,13-5-4-8-19-13)11-16-9-12-6-7-14(18-3)17-10-12/h4-8,10,16H,9,11H2,1-3H3
InChIKeyRAKOKXPZIKJMOM-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.22
Rot. Bonds6

About N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine

N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine (PubChem CID 114936828) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
PubChem CID114936828
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
SMILESCOc1ccc(CNCC(C)(C)c2cccs2)cn1
InChIInChI=1S/C15H20N2OS/c1-15(2,13-5-4-8-19-13)11-16-9-12-6-7-14(18-3)17-10-12/h4-8,10,16H,9,11H2,1-3H3
InChIKeyRAKOKXPZIKJMOM-UHFFFAOYSA-N
XLogP3.22
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 78963168
2-methyl-N-(pyrimidin-5-ylmethyl)-2-thiophen-2-ylpropan-1-amine
CID 78963637
3-[(6-methoxy-3-pyridinyl)methylamino]-2,2-dimethylpropanamide
CID 104998708
N-[[3-(methoxymethyl)phenyl]methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 79032921
N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine
CID 43206293
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62292084
2-methyl-2-thiophen-2-yl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 78963459
N-[(6-methoxy-3-pyridinyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 28712185
N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43206362
5-[(6-methoxy-3-pyridinyl)methylamino]-4,4-dimethylpentanenitrile
CID 115651922
1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-methyl-3-(2-methyl-2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111581310
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 115627595

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine (CID 114936828) is N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine is COc1ccc(CNCC(C)(C)c2cccs2)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine?
The InChIKey is RAKOKXPZIKJMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-15(2,13-5-4-8-19-13)11-16-9-12-6-7-14(18-3)17-10-12/h4-8,10,16H,9,11H2,1-3H3.
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine?
N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine has a molecular weight of 276.41 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 114936828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).