1-(3,5-dimethylphenyl)-N-methyl-2-pyridin-2-ylethanamine

C16H20N2 — CID 54936986

IUPAC1-(3,5-dimethylphenyl)-N-methyl-2-pyridin-2-ylethanamine
SMILESCNC(Cc1ccccn1)c1cc(C)cc(C)c1
InChIInChI=1S/C16H20N2/c1-12-8-13(2)10-14(9-12)16(17-3)11-15-6-4-5-7-18-15/h4-10,16-17H,11H2,1-3H3
InChIKeyQHMQJYRQJDUTTK-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.20
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-N-methyl-2-pyridin-2-ylethanamine

1-(3,5-dimethylphenyl)-N-methyl-2-pyridin-2-ylethanamine (PubChem CID 54936986) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-methyl-2-pyridin-2-ylethanamine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-methyl-2-pyridin-2-ylethanamine
PubChem CID54936986
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name1-(3,5-dimethylphenyl)-N-methyl-2-pyridin-2-ylethanamine
SMILESCNC(Cc1ccccn1)c1cc(C)cc(C)c1
InChIInChI=1S/C16H20N2/c1-12-8-13(2)10-14(9-12)16(17-3)11-15-6-4-5-7-18-15/h4-10,16-17H,11H2,1-3H3
InChIKeyQHMQJYRQJDUTTK-UHFFFAOYSA-N
XLogP3.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-methyl-2-pyridin-2-ylethanamine?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-methyl-2-pyridin-2-ylethanamine (CID 54936986) is 1-(3,5-dimethylphenyl)-N-methyl-2-pyridin-2-ylethanamine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-methyl-2-pyridin-2-ylethanamine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-methyl-2-pyridin-2-ylethanamine is CNC(Cc1ccccn1)c1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-methyl-2-pyridin-2-ylethanamine?
The InChIKey is QHMQJYRQJDUTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-12-8-13(2)10-14(9-12)16(17-3)11-15-6-4-5-7-18-15/h4-10,16-17H,11H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-N-methyl-2-pyridin-2-ylethanamine?
1-(3,5-dimethylphenyl)-N-methyl-2-pyridin-2-ylethanamine has a molecular weight of 240.35 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N-methyl-2-pyridin-2-ylethanamine is sourced from PubChem (CID 54936986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).