2-[benzyl(pyridin-2-ylmethyl)amino]-1-thiophen-2-ylethanol

C19H20N2OS — CID 71855576

IUPAC2-[benzyl(pyridin-2-ylmethyl)amino]-1-thiophen-2-ylethanol
SMILESOC(CN(Cc1ccccc1)Cc1ccccn1)c1cccs1
InChIInChI=1S/C19H20N2OS/c22-18(19-10-6-12-23-19)15-21(13-16-7-2-1-3-8-16)14-17-9-4-5-11-20-17/h1-12,18,22H,13-15H2
InChIKeyXSLAKBUJIXDNHQ-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.88
Rot. Bonds7

About 2-[benzyl(pyridin-2-ylmethyl)amino]-1-thiophen-2-ylethanol

2-[benzyl(pyridin-2-ylmethyl)amino]-1-thiophen-2-ylethanol (PubChem CID 71855576) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-[benzyl(pyridin-2-ylmethyl)amino]-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-[benzyl(pyridin-2-ylmethyl)amino]-1-thiophen-2-ylethanol
PubChem CID71855576
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name2-[benzyl(pyridin-2-ylmethyl)amino]-1-thiophen-2-ylethanol
SMILESOC(CN(Cc1ccccc1)Cc1ccccn1)c1cccs1
InChIInChI=1S/C19H20N2OS/c22-18(19-10-6-12-23-19)15-21(13-16-7-2-1-3-8-16)14-17-9-4-5-11-20-17/h1-12,18,22H,13-15H2
InChIKeyXSLAKBUJIXDNHQ-UHFFFAOYSA-N
XLogP3.88
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(pyridin-2-ylmethyl)amino]-1-thiophen-2-ylethanol?
The IUPAC name of 2-[benzyl(pyridin-2-ylmethyl)amino]-1-thiophen-2-ylethanol (CID 71855576) is 2-[benzyl(pyridin-2-ylmethyl)amino]-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-[benzyl(pyridin-2-ylmethyl)amino]-1-thiophen-2-ylethanol?
The canonical SMILES for 2-[benzyl(pyridin-2-ylmethyl)amino]-1-thiophen-2-ylethanol is OC(CN(Cc1ccccc1)Cc1ccccn1)c1cccs1.
What is the InChIKey of 2-[benzyl(pyridin-2-ylmethyl)amino]-1-thiophen-2-ylethanol?
The InChIKey is XSLAKBUJIXDNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c22-18(19-10-6-12-23-19)15-21(13-16-7-2-1-3-8-16)14-17-9-4-5-11-20-17/h1-12,18,22H,13-15H2.
What are the key properties of 2-[benzyl(pyridin-2-ylmethyl)amino]-1-thiophen-2-ylethanol?
2-[benzyl(pyridin-2-ylmethyl)amino]-1-thiophen-2-ylethanol has a molecular weight of 324.45 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(pyridin-2-ylmethyl)amino]-1-thiophen-2-ylethanol is sourced from PubChem (CID 71855576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).