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

C15H19ClN2OS — CID 62321226

IUPACN-[[3-chloro-6-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1nc(OCCc2cccs2)ccc1Cl
InChIInChI=1S/C15H19ClN2OS/c1-11(2)17-10-14-13(16)5-6-15(18-14)19-8-7-12-4-3-9-20-12/h3-6,9,11,17H,7-8,10H2,1-2H3
InChIKeyBGYPUNIMGHOPTI-UHFFFAOYSA-N
MW310.85 g/mol
LogP3.92
Rot. Bonds7

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

N-[[3-chloro-6-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-2-amine (PubChem CID 62321226) has the molecular formula C15H19ClN2OS and a molecular weight of 310.85 g/mol. Its IUPAC name is N-[[3-chloro-6-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-chloro-6-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-2-amine
PubChem CID62321226
Molecular FormulaC15H19ClN2OS
Molecular Weight310.85 g/mol
Exact Mass310.09
IUPAC NameN-[[3-chloro-6-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1nc(OCCc2cccs2)ccc1Cl
InChIInChI=1S/C15H19ClN2OS/c1-11(2)17-10-14-13(16)5-6-15(18-14)19-8-7-12-4-3-9-20-12/h3-6,9,11,17H,7-8,10H2,1-2H3
InChIKeyBGYPUNIMGHOPTI-UHFFFAOYSA-N
XLogP3.92
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-chloro-6-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62321402
N-[[6-(2-thiophen-2-ylethoxymethyl)-2-pyridinyl]methyl]propan-2-amine
CID 106908281
N-[[3-chloro-6-(oxolan-3-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62321214
N-[[3-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methyl]propan-2-amine
CID 66275955
N-[[5-chloro-2-(2-thiophen-2-ylethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114928581
N-[[6-methyl-3-(thiophen-2-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79151007
N-[[6-(3-bromophenoxy)-3-chloro-2-pyridinyl]methyl]propan-2-amine
CID 62321632
N-[[3-chloro-6-(2-methylcyclohexyl)oxy-2-pyridinyl]methyl]propan-2-amine
CID 62290127
3-chloro-5-(2-thiophen-2-ylethoxy)-1,2,4-triazine
CID 115001002
N-[[5-(2-thiophen-2-ylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62485992
1-[5-chloro-2-(2-thiophen-2-ylethoxy)phenyl]-N-methylethanamine
CID 63775283
N-[[6-(4-bromo-2-methylphenoxy)-3-chloro-2-pyridinyl]methyl]propan-2-amine
CID 63487989

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-6-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-chloro-6-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-2-amine (CID 62321226) is N-[[3-chloro-6-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-chloro-6-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-chloro-6-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-2-amine is CC(C)NCc1nc(OCCc2cccs2)ccc1Cl.
What is the InChIKey of N-[[3-chloro-6-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is BGYPUNIMGHOPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2OS/c1-11(2)17-10-14-13(16)5-6-15(18-14)19-8-7-12-4-3-9-20-12/h3-6,9,11,17H,7-8,10H2,1-2H3.
What are the key properties of N-[[3-chloro-6-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-2-amine?
N-[[3-chloro-6-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 310.85 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-6-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62321226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).