N-[[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]-1-pyridin-3-ylmethanamine

C18H17ClN2OS — CID 961252

IUPACN-[[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]-1-pyridin-3-ylmethanamine
SMILESClc1ccc(OCc2cccs2)c(CNCc2cccnc2)c1
InChIInChI=1S/C18H17ClN2OS/c19-16-5-6-18(22-13-17-4-2-8-23-17)15(9-16)12-21-11-14-3-1-7-20-10-14/h1-10,21H,11-13H2
InChIKeyWOQQWLYYOPBOGN-UHFFFAOYSA-N
MW344.87 g/mol
LogP4.67
Rot. Bonds7

About N-[[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]-1-pyridin-3-ylmethanamine

N-[[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]-1-pyridin-3-ylmethanamine (PubChem CID 961252) has the molecular formula C18H17ClN2OS and a molecular weight of 344.87 g/mol. Its IUPAC name is N-[[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]-1-pyridin-3-ylmethanamine
PubChem CID961252
Molecular FormulaC18H17ClN2OS
Molecular Weight344.87 g/mol
Exact Mass344.08
IUPAC NameN-[[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]-1-pyridin-3-ylmethanamine
SMILESClc1ccc(OCc2cccs2)c(CNCc2cccnc2)c1
InChIInChI=1S/C18H17ClN2OS/c19-16-5-6-18(22-13-17-4-2-8-23-17)15(9-16)12-21-11-14-3-1-7-20-10-14/h1-10,21H,11-13H2
InChIKeyWOQQWLYYOPBOGN-UHFFFAOYSA-N
XLogP4.67
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.87
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]-1-pyridin-3-ylmethanamine?
The IUPAC name of N-[[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]-1-pyridin-3-ylmethanamine (CID 961252) is N-[[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-[[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-[[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]-1-pyridin-3-ylmethanamine is Clc1ccc(OCc2cccs2)c(CNCc2cccnc2)c1.
What is the InChIKey of N-[[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]-1-pyridin-3-ylmethanamine?
The InChIKey is WOQQWLYYOPBOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2OS/c19-16-5-6-18(22-13-17-4-2-8-23-17)15(9-16)12-21-11-14-3-1-7-20-10-14/h1-10,21H,11-13H2.
What are the key properties of N-[[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]-1-pyridin-3-ylmethanamine?
N-[[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]-1-pyridin-3-ylmethanamine has a molecular weight of 344.87 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 961252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).