N-[(2,4-dimethoxyphenyl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine

C21H24N2O2S — CID 110222134

IUPACN-[(2,4-dimethoxyphenyl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine
SMILESCOc1ccc(CNC(Cc2ccsc2)c2ccc(C)cn2)c(OC)c1
InChIInChI=1S/C21H24N2O2S/c1-15-4-7-19(22-12-15)20(10-16-8-9-26-14-16)23-13-17-5-6-18(24-2)11-21(17)25-3/h4-9,11-12,14,20,23H,10,13H2,1-3H3
InChIKeyVYPSOFCJZWKCJN-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.54
Rot. Bonds8

About N-[(2,4-dimethoxyphenyl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine

N-[(2,4-dimethoxyphenyl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine (PubChem CID 110222134) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine
PubChem CID110222134
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine
SMILESCOc1ccc(CNC(Cc2ccsc2)c2ccc(C)cn2)c(OC)c1
InChIInChI=1S/C21H24N2O2S/c1-15-4-7-19(22-12-15)20(10-16-8-9-26-14-16)23-13-17-5-6-18(24-2)11-21(17)25-3/h4-9,11-12,14,20,23H,10,13H2,1-3H3
InChIKeyVYPSOFCJZWKCJN-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-[(2,4-dimethoxyphenyl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine (CID 110222134) is N-[(2,4-dimethoxyphenyl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine is COc1ccc(CNC(Cc2ccsc2)c2ccc(C)cn2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine?
The InChIKey is VYPSOFCJZWKCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-15-4-7-19(22-12-15)20(10-16-8-9-26-14-16)23-13-17-5-6-18(24-2)11-21(17)25-3/h4-9,11-12,14,20,23H,10,13H2,1-3H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine?
N-[(2,4-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-[(2,4-dimethoxyphenyl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine is sourced from PubChem (CID 110222134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).