N-[(2,6-dimethoxyphenyl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine

C21H24N2O2S — CID 46955527

IUPACN-[(2,6-dimethoxyphenyl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine
SMILESCOc1cccc(OC)c1CNC(Cc1ccsc1)c1ccc(C)cn1
InChIInChI=1S/C21H24N2O2S/c1-15-7-8-18(22-12-15)19(11-16-9-10-26-14-16)23-13-17-20(24-2)5-4-6-21(17)25-3/h4-10,12,14,19,23H,11,13H2,1-3H3
InChIKeyHSKKFVKBTBTSRM-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.54
Rot. Bonds8

About N-[(2,6-dimethoxyphenyl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine

N-[(2,6-dimethoxyphenyl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine (PubChem CID 46955527) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-[(2,6-dimethoxyphenyl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[(2,6-dimethoxyphenyl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine
PubChem CID46955527
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC NameN-[(2,6-dimethoxyphenyl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine
SMILESCOc1cccc(OC)c1CNC(Cc1ccsc1)c1ccc(C)cn1
InChIInChI=1S/C21H24N2O2S/c1-15-7-8-18(22-12-15)19(11-16-9-10-26-14-16)23-13-17-20(24-2)5-4-6-21(17)25-3/h4-10,12,14,19,23H,11,13H2,1-3H3
InChIKeyHSKKFVKBTBTSRM-UHFFFAOYSA-N
XLogP4.54
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethoxyphenyl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine?
The IUPAC name of N-[(2,6-dimethoxyphenyl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine (CID 46955527) is N-[(2,6-dimethoxyphenyl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-[(2,6-dimethoxyphenyl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine?
The canonical SMILES for N-[(2,6-dimethoxyphenyl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine is COc1cccc(OC)c1CNC(Cc1ccsc1)c1ccc(C)cn1.
What is the InChIKey of N-[(2,6-dimethoxyphenyl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine?
The InChIKey is HSKKFVKBTBTSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-15-7-8-18(22-12-15)19(11-16-9-10-26-14-16)23-13-17-20(24-2)5-4-6-21(17)25-3/h4-10,12,14,19,23H,11,13H2,1-3H3.
What are the key properties of N-[(2,6-dimethoxyphenyl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine?
N-[(2,6-dimethoxyphenyl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine has a molecular weight of 368.50 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethoxyphenyl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine is sourced from PubChem (CID 46955527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).