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

C16H22N2OS — CID 106908281

IUPACN-[[6-(2-thiophen-2-ylethoxymethyl)-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(COCCc2cccs2)n1
InChIInChI=1S/C16H22N2OS/c1-13(2)17-11-14-5-3-6-15(18-14)12-19-9-8-16-7-4-10-20-16/h3-7,10,13,17H,8-9,11-12H2,1-2H3
InChIKeyRBMVHOHEQRNAOH-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.40
Rot. Bonds8

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

N-[[6-(2-thiophen-2-ylethoxymethyl)-2-pyridinyl]methyl]propan-2-amine (PubChem CID 106908281) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[[6-(2-thiophen-2-ylethoxymethyl)-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(2-thiophen-2-ylethoxymethyl)-2-pyridinyl]methyl]propan-2-amine
PubChem CID106908281
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-[[6-(2-thiophen-2-ylethoxymethyl)-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(COCCc2cccs2)n1
InChIInChI=1S/C16H22N2OS/c1-13(2)17-11-14-5-3-6-15(18-14)12-19-9-8-16-7-4-10-20-16/h3-7,10,13,17H,8-9,11-12H2,1-2H3
InChIKeyRBMVHOHEQRNAOH-UHFFFAOYSA-N
XLogP3.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[6-(2-thiophen-2-ylethoxymethyl)-2-pyridinyl]methyl]ethanamine
CID 106908279
N-[[5-(2-thiophen-2-ylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62485992
N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]propan-2-amine;dihydrobromide
CID 11545437
N-[[3-chloro-6-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62321226
N-[[2-[2-(thiophen-2-ylmethoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 62484389
N-[[6-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]-2-pyridinyl]methyl]propan-2-amine
CID 106908103
2-methyl-N-[[3-(2-thiophen-2-ylethoxymethyl)phenyl]methyl]propan-1-amine
CID 62485809
N-[[6-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106907961
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 60880650
N-[[6-[(2,3-difluorophenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106908318
N-[[6-methyl-3-(thiophen-2-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79151007
N-[[6-[(2,4-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106907945

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-thiophen-2-ylethoxymethyl)-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(2-thiophen-2-ylethoxymethyl)-2-pyridinyl]methyl]propan-2-amine (CID 106908281) is N-[[6-(2-thiophen-2-ylethoxymethyl)-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(2-thiophen-2-ylethoxymethyl)-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(2-thiophen-2-ylethoxymethyl)-2-pyridinyl]methyl]propan-2-amine is CC(C)NCc1cccc(COCCc2cccs2)n1.
What is the InChIKey of N-[[6-(2-thiophen-2-ylethoxymethyl)-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is RBMVHOHEQRNAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-13(2)17-11-14-5-3-6-15(18-14)12-19-9-8-16-7-4-10-20-16/h3-7,10,13,17H,8-9,11-12H2,1-2H3.
What are the key properties of N-[[6-(2-thiophen-2-ylethoxymethyl)-2-pyridinyl]methyl]propan-2-amine?
N-[[6-(2-thiophen-2-ylethoxymethyl)-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 290.43 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-thiophen-2-ylethoxymethyl)-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 106908281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).