2-(3,5-dimethylphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine

C17H22N2 — CID 63155527

IUPAC2-(3,5-dimethylphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine
SMILESCNC(Cc1cc(C)cc(C)c1)c1ccc(C)nc1
InChIInChI=1S/C17H22N2/c1-12-7-13(2)9-15(8-12)10-17(18-4)16-6-5-14(3)19-11-16/h5-9,11,17-18H,10H2,1-4H3
InChIKeyFFHSGGYQNZSAGS-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.51
Rot. Bonds4

About 2-(3,5-dimethylphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine

2-(3,5-dimethylphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine (PubChem CID 63155527) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine
PubChem CID63155527
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name2-(3,5-dimethylphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine
SMILESCNC(Cc1cc(C)cc(C)c1)c1ccc(C)nc1
InChIInChI=1S/C17H22N2/c1-12-7-13(2)9-15(8-12)10-17(18-4)16-6-5-14(3)19-11-16/h5-9,11,17-18H,10H2,1-4H3
InChIKeyFFHSGGYQNZSAGS-UHFFFAOYSA-N
XLogP3.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine?
The IUPAC name of 2-(3,5-dimethylphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine (CID 63155527) is 2-(3,5-dimethylphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(3,5-dimethylphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine is CNC(Cc1cc(C)cc(C)c1)c1ccc(C)nc1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine?
The InChIKey is FFHSGGYQNZSAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-12-7-13(2)9-15(8-12)10-17(18-4)16-6-5-14(3)19-11-16/h5-9,11,17-18H,10H2,1-4H3.
What are the key properties of 2-(3,5-dimethylphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine?
2-(3,5-dimethylphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine has a molecular weight of 254.38 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 63155527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).