N-methyl-1-[3-(6-methyl-3-pyridinyl)phenyl]ethanamine

C15H18N2 — CID 63157736

IUPACN-methyl-1-[3-(6-methyl-3-pyridinyl)phenyl]ethanamine
SMILESCNC(C)c1cccc(-c2ccc(C)nc2)c1
InChIInChI=1S/C15H18N2/c1-11-7-8-15(10-17-11)14-6-4-5-13(9-14)12(2)16-3/h4-10,12,16H,1-3H3
InChIKeyZWTOKMVQNCZMPY-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.34
Rot. Bonds3

About N-methyl-1-[3-(6-methyl-3-pyridinyl)phenyl]ethanamine

N-methyl-1-[3-(6-methyl-3-pyridinyl)phenyl]ethanamine (PubChem CID 63157736) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-methyl-1-[3-(6-methyl-3-pyridinyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(6-methyl-3-pyridinyl)phenyl]ethanamine
PubChem CID63157736
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC NameN-methyl-1-[3-(6-methyl-3-pyridinyl)phenyl]ethanamine
SMILESCNC(C)c1cccc(-c2ccc(C)nc2)c1
InChIInChI=1S/C15H18N2/c1-11-7-8-15(10-17-11)14-6-4-5-13(9-14)12(2)16-3/h4-10,12,16H,1-3H3
InChIKeyZWTOKMVQNCZMPY-UHFFFAOYSA-N
XLogP3.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(6-methyl-3-pyridinyl)phenyl]ethanamine?
The IUPAC name of N-methyl-1-[3-(6-methyl-3-pyridinyl)phenyl]ethanamine (CID 63157736) is N-methyl-1-[3-(6-methyl-3-pyridinyl)phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[3-(6-methyl-3-pyridinyl)phenyl]ethanamine?
The canonical SMILES for N-methyl-1-[3-(6-methyl-3-pyridinyl)phenyl]ethanamine is CNC(C)c1cccc(-c2ccc(C)nc2)c1.
What is the InChIKey of N-methyl-1-[3-(6-methyl-3-pyridinyl)phenyl]ethanamine?
The InChIKey is ZWTOKMVQNCZMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-11-7-8-15(10-17-11)14-6-4-5-13(9-14)12(2)16-3/h4-10,12,16H,1-3H3.
What are the key properties of N-methyl-1-[3-(6-methyl-3-pyridinyl)phenyl]ethanamine?
N-methyl-1-[3-(6-methyl-3-pyridinyl)phenyl]ethanamine has a molecular weight of 226.32 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(6-methyl-3-pyridinyl)phenyl]ethanamine is sourced from PubChem (CID 63157736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).