N-methyl-N-[(4-methylphenyl)methyl]-2-pyridin-2-ylethanamine

C16H20N2 — CID 768447

IUPACN-methyl-N-[(4-methylphenyl)methyl]-2-pyridin-2-ylethanamine
SMILESCc1ccc(CN(C)CCc2ccccn2)cc1
InChIInChI=1S/C16H20N2/c1-14-6-8-15(9-7-14)13-18(2)12-10-16-5-3-4-11-17-16/h3-9,11H,10,12-13H2,1-2H3
InChIKeyWBEJJOSWBLYDBQ-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.06
Rot. Bonds5

About N-methyl-N-[(4-methylphenyl)methyl]-2-pyridin-2-ylethanamine

N-methyl-N-[(4-methylphenyl)methyl]-2-pyridin-2-ylethanamine (PubChem CID 768447) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-methyl-N-[(4-methylphenyl)methyl]-2-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-methyl-N-[(4-methylphenyl)methyl]-2-pyridin-2-ylethanamine
PubChem CID768447
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC NameN-methyl-N-[(4-methylphenyl)methyl]-2-pyridin-2-ylethanamine
SMILESCc1ccc(CN(C)CCc2ccccn2)cc1
InChIInChI=1S/C16H20N2/c1-14-6-8-15(9-7-14)13-18(2)12-10-16-5-3-4-11-17-16/h3-9,11H,10,12-13H2,1-2H3
InChIKeyWBEJJOSWBLYDBQ-UHFFFAOYSA-N
XLogP3.06
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylphenyl)methyl]-2-pyridin-2-ylethanamine?
The IUPAC name of N-methyl-N-[(4-methylphenyl)methyl]-2-pyridin-2-ylethanamine (CID 768447) is N-methyl-N-[(4-methylphenyl)methyl]-2-pyridin-2-ylethanamine.
What is the SMILES notation for N-methyl-N-[(4-methylphenyl)methyl]-2-pyridin-2-ylethanamine?
The canonical SMILES for N-methyl-N-[(4-methylphenyl)methyl]-2-pyridin-2-ylethanamine is Cc1ccc(CN(C)CCc2ccccn2)cc1.
What is the InChIKey of N-methyl-N-[(4-methylphenyl)methyl]-2-pyridin-2-ylethanamine?
The InChIKey is WBEJJOSWBLYDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-14-6-8-15(9-7-14)13-18(2)12-10-16-5-3-4-11-17-16/h3-9,11H,10,12-13H2,1-2H3.
What are the key properties of N-methyl-N-[(4-methylphenyl)methyl]-2-pyridin-2-ylethanamine?
N-methyl-N-[(4-methylphenyl)methyl]-2-pyridin-2-ylethanamine has a molecular weight of 240.35 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methylphenyl)methyl]-2-pyridin-2-ylethanamine is sourced from PubChem (CID 768447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).