N-methyl-N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-3-ylmethanamine

C18H18N2S — CID 75451663

IUPACN-methyl-N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-3-ylmethanamine
SMILESCN(Cc1cccnc1)Cc1cc(-c2ccccc2)cs1
InChIInChI=1S/C18H18N2S/c1-20(12-15-6-5-9-19-11-15)13-18-10-17(14-21-18)16-7-3-2-4-8-16/h2-11,14H,12-13H2,1H3
InChIKeyVLIPWMMIBLWWIY-UHFFFAOYSA-N
MW294.42 g/mol
LogP4.44
Rot. Bonds5

About N-methyl-N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-3-ylmethanamine

N-methyl-N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-3-ylmethanamine (PubChem CID 75451663) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-methyl-N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN-methyl-N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-3-ylmethanamine
PubChem CID75451663
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC NameN-methyl-N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-3-ylmethanamine
SMILESCN(Cc1cccnc1)Cc1cc(-c2ccccc2)cs1
InChIInChI=1S/C18H18N2S/c1-20(12-15-6-5-9-19-11-15)13-18-10-17(14-21-18)16-7-3-2-4-8-16/h2-11,14H,12-13H2,1H3
InChIKeyVLIPWMMIBLWWIY-UHFFFAOYSA-N
XLogP4.44
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-3-ylmethanamine?
The IUPAC name of N-methyl-N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-3-ylmethanamine (CID 75451663) is N-methyl-N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-methyl-N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-methyl-N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-3-ylmethanamine is CN(Cc1cccnc1)Cc1cc(-c2ccccc2)cs1.
What is the InChIKey of N-methyl-N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-3-ylmethanamine?
The InChIKey is VLIPWMMIBLWWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-20(12-15-6-5-9-19-11-15)13-18-10-17(14-21-18)16-7-3-2-4-8-16/h2-11,14H,12-13H2,1H3.
What are the key properties of N-methyl-N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-3-ylmethanamine?
N-methyl-N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-3-ylmethanamine has a molecular weight of 294.42 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 75451663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).