1-[3-[(5-ethyl-2-pyridinyl)methyl]-4-methylphenyl]-N-methylmethanamine

C17H22N2 — CID 105409110

IUPAC1-[3-[(5-ethyl-2-pyridinyl)methyl]-4-methylphenyl]-N-methylmethanamine
SMILESCCc1ccc(Cc2cc(CNC)ccc2C)nc1
InChIInChI=1S/C17H22N2/c1-4-14-7-8-17(19-12-14)10-16-9-15(11-18-3)6-5-13(16)2/h5-9,12,18H,4,10-11H2,1-3H3
InChIKeySTWUPFCNVYXYAG-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.26
Rot. Bonds5

About 1-[3-[(5-ethyl-2-pyridinyl)methyl]-4-methylphenyl]-N-methylmethanamine

1-[3-[(5-ethyl-2-pyridinyl)methyl]-4-methylphenyl]-N-methylmethanamine (PubChem CID 105409110) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-[3-[(5-ethyl-2-pyridinyl)methyl]-4-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(5-ethyl-2-pyridinyl)methyl]-4-methylphenyl]-N-methylmethanamine
PubChem CID105409110
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name1-[3-[(5-ethyl-2-pyridinyl)methyl]-4-methylphenyl]-N-methylmethanamine
SMILESCCc1ccc(Cc2cc(CNC)ccc2C)nc1
InChIInChI=1S/C17H22N2/c1-4-14-7-8-17(19-12-14)10-16-9-15(11-18-3)6-5-13(16)2/h5-9,12,18H,4,10-11H2,1-3H3
InChIKeySTWUPFCNVYXYAG-UHFFFAOYSA-N
XLogP3.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5-ethyl-2-pyridinyl)methyl]-4-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(5-ethyl-2-pyridinyl)methyl]-4-methylphenyl]-N-methylmethanamine (CID 105409110) is 1-[3-[(5-ethyl-2-pyridinyl)methyl]-4-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(5-ethyl-2-pyridinyl)methyl]-4-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(5-ethyl-2-pyridinyl)methyl]-4-methylphenyl]-N-methylmethanamine is CCc1ccc(Cc2cc(CNC)ccc2C)nc1.
What is the InChIKey of 1-[3-[(5-ethyl-2-pyridinyl)methyl]-4-methylphenyl]-N-methylmethanamine?
The InChIKey is STWUPFCNVYXYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-4-14-7-8-17(19-12-14)10-16-9-15(11-18-3)6-5-13(16)2/h5-9,12,18H,4,10-11H2,1-3H3.
What are the key properties of 1-[3-[(5-ethyl-2-pyridinyl)methyl]-4-methylphenyl]-N-methylmethanamine?
1-[3-[(5-ethyl-2-pyridinyl)methyl]-4-methylphenyl]-N-methylmethanamine has a molecular weight of 254.38 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5-ethyl-2-pyridinyl)methyl]-4-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 105409110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).