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

C21H24N2O2S — CID 46955539

IUPACN-[(3,4-dimethoxyphenyl)methyl]-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine
SMILESCOc1ccc(CNC(Cc2ccsc2)c2ncccc2C)cc1OC
InChIInChI=1S/C21H24N2O2S/c1-15-5-4-9-22-21(15)18(11-17-8-10-26-14-17)23-13-16-6-7-19(24-2)20(12-16)25-3/h4-10,12,14,18,23H,11,13H2,1-3H3
InChIKeyKTCJDNWKGKEWEC-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.54
Rot. Bonds8

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

N-[(3,4-dimethoxyphenyl)methyl]-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine (PubChem CID 46955539) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine
PubChem CID46955539
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine
SMILESCOc1ccc(CNC(Cc2ccsc2)c2ncccc2C)cc1OC
InChIInChI=1S/C21H24N2O2S/c1-15-5-4-9-22-21(15)18(11-17-8-10-26-14-17)23-13-16-6-7-19(24-2)20(12-16)25-3/h4-10,12,14,18,23H,11,13H2,1-3H3
InChIKeyKTCJDNWKGKEWEC-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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Related Compounds

N,N-dimethyl-5-[[[(1S)-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]amino]methyl]pyrimidin-2-amine
CID 92562333
N-methyl-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine
CID 62603185
(1S)-1-(3-methyl-2-pyridinyl)-N-[(2-pyrazol-1-ylphenyl)methyl]-2-thiophen-3-ylethanamine
CID 92562330
(1S)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine
CID 92600697
1-(3,4-dimethoxyphenyl)-3-thiophen-3-ylpropan-2-amine
CID 55095413
(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 92597615
N-ethyl-1-(3-ethyl-2-pyridinyl)-2-thiophen-3-ylethanamine
CID 82730797
(1S)-N-[(2-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine
CID 92602063
(1S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine
CID 51595966
N-[(3-methoxy-4-pyrrolidin-1-ylphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine
CID 110221908
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61221739
N-[1-(3-methoxypyrazin-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 105178677

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine (CID 46955539) is N-[(3,4-dimethoxyphenyl)methyl]-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine is COc1ccc(CNC(Cc2ccsc2)c2ncccc2C)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine?
The InChIKey is KTCJDNWKGKEWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-15-5-4-9-22-21(15)18(11-17-8-10-26-14-17)23-13-16-6-7-19(24-2)20(12-16)25-3/h4-10,12,14,18,23H,11,13H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine?
N-[(3,4-dimethoxyphenyl)methyl]-1-(3-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-[(3,4-dimethoxyphenyl)methyl]-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine is sourced from PubChem (CID 46955539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).