N-[[5-chloro-6-(2-thiophen-2-ylethoxy)-3-pyridinyl]methyl]ethanamine

C14H17ClN2OS — CID 62323331

IUPACN-[[5-chloro-6-(2-thiophen-2-ylethoxy)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(OCCc2cccs2)c(Cl)c1
InChIInChI=1S/C14H17ClN2OS/c1-2-16-9-11-8-13(15)14(17-10-11)18-6-5-12-4-3-7-19-12/h3-4,7-8,10,16H,2,5-6,9H2,1H3
InChIKeyMVWFOFLULHNXQB-UHFFFAOYSA-N
MW296.82 g/mol
LogP3.53
Rot. Bonds7

About N-[[5-chloro-6-(2-thiophen-2-ylethoxy)-3-pyridinyl]methyl]ethanamine

N-[[5-chloro-6-(2-thiophen-2-ylethoxy)-3-pyridinyl]methyl]ethanamine (PubChem CID 62323331) has the molecular formula C14H17ClN2OS and a molecular weight of 296.82 g/mol. Its IUPAC name is N-[[5-chloro-6-(2-thiophen-2-ylethoxy)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-chloro-6-(2-thiophen-2-ylethoxy)-3-pyridinyl]methyl]ethanamine
PubChem CID62323331
Molecular FormulaC14H17ClN2OS
Molecular Weight296.82 g/mol
Exact Mass296.08
IUPAC NameN-[[5-chloro-6-(2-thiophen-2-ylethoxy)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(OCCc2cccs2)c(Cl)c1
InChIInChI=1S/C14H17ClN2OS/c1-2-16-9-11-8-13(15)14(17-10-11)18-6-5-12-4-3-7-19-12/h3-4,7-8,10,16H,2,5-6,9H2,1H3
InChIKeyMVWFOFLULHNXQB-UHFFFAOYSA-N
XLogP3.53
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-chloro-6-(2-thiophen-2-ylethoxy)-3-pyridinyl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-chloro-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-3-pyridinyl]methyl]ethanamine
CID 62291236
N-[(5-chloro-6-phenoxy-3-pyridinyl)methyl]-2-thiophen-2-ylethanamine
CID 141084653
N-[[3-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine
CID 63776029
N-[[5-chloro-6-(2-methoxyethoxy)-3-pyridinyl]methyl]ethanamine
CID 62290358
N-[(5-chloro-6-pent-4-enoxy-3-pyridinyl)methyl]ethanamine
CID 79114404
3-[[3-chloro-5-(ethylaminomethyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 62298233
N-[[3-fluoro-4-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine
CID 107686825
5-(ethylaminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 113388061
N-[[5-chloro-6-(2-methylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 55058407
N-[[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
CID 4715962
3,5-dichloro-N-propyl-6-(2-thiophen-2-ylethoxy)pyridin-2-amine
CID 102760896
N-[[5-(2-thiophen-2-ylethoxymethyl)furan-3-yl]methyl]ethanamine
CID 62486002

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-(2-thiophen-2-ylethoxy)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[5-chloro-6-(2-thiophen-2-ylethoxy)-3-pyridinyl]methyl]ethanamine (CID 62323331) is N-[[5-chloro-6-(2-thiophen-2-ylethoxy)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-chloro-6-(2-thiophen-2-ylethoxy)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[5-chloro-6-(2-thiophen-2-ylethoxy)-3-pyridinyl]methyl]ethanamine is CCNCc1cnc(OCCc2cccs2)c(Cl)c1.
What is the InChIKey of N-[[5-chloro-6-(2-thiophen-2-ylethoxy)-3-pyridinyl]methyl]ethanamine?
The InChIKey is MVWFOFLULHNXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2OS/c1-2-16-9-11-8-13(15)14(17-10-11)18-6-5-12-4-3-7-19-12/h3-4,7-8,10,16H,2,5-6,9H2,1H3.
What are the key properties of N-[[5-chloro-6-(2-thiophen-2-ylethoxy)-3-pyridinyl]methyl]ethanamine?
N-[[5-chloro-6-(2-thiophen-2-ylethoxy)-3-pyridinyl]methyl]ethanamine has a molecular weight of 296.82 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-(2-thiophen-2-ylethoxy)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 62323331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).