N-[(3,5-dimethylphenyl)-pyridin-3-ylmethyl]ethanamine

C16H20N2 — CID 50987974

IUPACN-[(3,5-dimethylphenyl)-pyridin-3-ylmethyl]ethanamine
SMILESCCNC(c1cccnc1)c1cc(C)cc(C)c1
InChIInChI=1S/C16H20N2/c1-4-18-16(14-6-5-7-17-11-14)15-9-12(2)8-13(3)10-15/h5-11,16,18H,4H2,1-3H3
InChIKeyRIZHPJZLPBGORC-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.40
Rot. Bonds4

About N-[(3,5-dimethylphenyl)-pyridin-3-ylmethyl]ethanamine

N-[(3,5-dimethylphenyl)-pyridin-3-ylmethyl]ethanamine (PubChem CID 50987974) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[(3,5-dimethylphenyl)-pyridin-3-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethylphenyl)-pyridin-3-ylmethyl]ethanamine
PubChem CID50987974
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC NameN-[(3,5-dimethylphenyl)-pyridin-3-ylmethyl]ethanamine
SMILESCCNC(c1cccnc1)c1cc(C)cc(C)c1
InChIInChI=1S/C16H20N2/c1-4-18-16(14-6-5-7-17-11-14)15-9-12(2)8-13(3)10-15/h5-11,16,18H,4H2,1-3H3
InChIKeyRIZHPJZLPBGORC-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylphenyl)-pyridin-3-ylmethyl]ethanamine?
The IUPAC name of N-[(3,5-dimethylphenyl)-pyridin-3-ylmethyl]ethanamine (CID 50987974) is N-[(3,5-dimethylphenyl)-pyridin-3-ylmethyl]ethanamine.
What is the SMILES notation for N-[(3,5-dimethylphenyl)-pyridin-3-ylmethyl]ethanamine?
The canonical SMILES for N-[(3,5-dimethylphenyl)-pyridin-3-ylmethyl]ethanamine is CCNC(c1cccnc1)c1cc(C)cc(C)c1.
What is the InChIKey of N-[(3,5-dimethylphenyl)-pyridin-3-ylmethyl]ethanamine?
The InChIKey is RIZHPJZLPBGORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-4-18-16(14-6-5-7-17-11-14)15-9-12(2)8-13(3)10-15/h5-11,16,18H,4H2,1-3H3.
What are the key properties of N-[(3,5-dimethylphenyl)-pyridin-3-ylmethyl]ethanamine?
N-[(3,5-dimethylphenyl)-pyridin-3-ylmethyl]ethanamine has a molecular weight of 240.35 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylphenyl)-pyridin-3-ylmethyl]ethanamine is sourced from PubChem (CID 50987974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).