N-[(5-methylthiophen-2-yl)methyl]-1-phenyl-1-pyridin-4-ylmethanamine

C18H18N2S — CID 60664173

IUPACN-[(5-methylthiophen-2-yl)methyl]-1-phenyl-1-pyridin-4-ylmethanamine
SMILESCc1ccc(CNC(c2ccccc2)c2ccncc2)s1
InChIInChI=1S/C18H18N2S/c1-14-7-8-17(21-14)13-20-18(15-5-3-2-4-6-15)16-9-11-19-12-10-16/h2-12,18,20H,13H2,1H3
InChIKeyGCSSOWXOBUZAEW-UHFFFAOYSA-N
MW294.42 g/mol
LogP4.33
Rot. Bonds5

About N-[(5-methylthiophen-2-yl)methyl]-1-phenyl-1-pyridin-4-ylmethanamine

N-[(5-methylthiophen-2-yl)methyl]-1-phenyl-1-pyridin-4-ylmethanamine (PubChem CID 60664173) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-1-phenyl-1-pyridin-4-ylmethanamine.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-1-phenyl-1-pyridin-4-ylmethanamine
PubChem CID60664173
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-1-phenyl-1-pyridin-4-ylmethanamine
SMILESCc1ccc(CNC(c2ccccc2)c2ccncc2)s1
InChIInChI=1S/C18H18N2S/c1-14-7-8-17(21-14)13-20-18(15-5-3-2-4-6-15)16-9-11-19-12-10-16/h2-12,18,20H,13H2,1H3
InChIKeyGCSSOWXOBUZAEW-UHFFFAOYSA-N
XLogP4.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1-phenyl-1-pyridin-4-ylmethanamine?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1-phenyl-1-pyridin-4-ylmethanamine (CID 60664173) is N-[(5-methylthiophen-2-yl)methyl]-1-phenyl-1-pyridin-4-ylmethanamine.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-1-phenyl-1-pyridin-4-ylmethanamine?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-1-phenyl-1-pyridin-4-ylmethanamine is Cc1ccc(CNC(c2ccccc2)c2ccncc2)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-1-phenyl-1-pyridin-4-ylmethanamine?
The InChIKey is GCSSOWXOBUZAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-14-7-8-17(21-14)13-20-18(15-5-3-2-4-6-15)16-9-11-19-12-10-16/h2-12,18,20H,13H2,1H3.
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-1-phenyl-1-pyridin-4-ylmethanamine?
N-[(5-methylthiophen-2-yl)methyl]-1-phenyl-1-pyridin-4-ylmethanamine has a molecular weight of 294.42 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-1-phenyl-1-pyridin-4-ylmethanamine is sourced from PubChem (CID 60664173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).