N-[(2,6-dimethyl-3-pyridinyl)-(2-methylphenyl)methyl]ethanamine

C17H22N2 — CID 105094633

IUPACN-[(2,6-dimethyl-3-pyridinyl)-(2-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1C)c1ccc(C)nc1C
InChIInChI=1S/C17H22N2/c1-5-18-17(15-9-7-6-8-12(15)2)16-11-10-13(3)19-14(16)4/h6-11,17-18H,5H2,1-4H3
InChIKeyAIFIVUMWMUPLKM-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.71
Rot. Bonds4

About N-[(2,6-dimethyl-3-pyridinyl)-(2-methylphenyl)methyl]ethanamine

N-[(2,6-dimethyl-3-pyridinyl)-(2-methylphenyl)methyl]ethanamine (PubChem CID 105094633) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-[(2,6-dimethyl-3-pyridinyl)-(2-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,6-dimethyl-3-pyridinyl)-(2-methylphenyl)methyl]ethanamine
PubChem CID105094633
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-[(2,6-dimethyl-3-pyridinyl)-(2-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1C)c1ccc(C)nc1C
InChIInChI=1S/C17H22N2/c1-5-18-17(15-9-7-6-8-12(15)2)16-11-10-13(3)19-14(16)4/h6-11,17-18H,5H2,1-4H3
InChIKeyAIFIVUMWMUPLKM-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,3-difluoro-4-methylphenyl)-(2,6-dimethyl-3-pyridinyl)methyl]ethanamine
CID 107515330
N-[isoquinolin-4-yl-(2-methylphenyl)methyl]ethanamine
CID 63939788
N-[(2,6-dimethyl-3-pyridinyl)-(4-fluorophenyl)methyl]ethanamine
CID 115604747
2-(2,6-dimethylphenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-ethylethanamine
CID 105174594
N-[(2-methylphenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 64989694
N-[(2,6-dimethyl-3-pyridinyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 105148360
N-[(2,6-dimethyl-3-pyridinyl)-(3-fluorophenyl)methyl]ethanamine
CID 105092816
N-[(2,3-dimethylphenyl)-(6-methyl-2-pyridinyl)methyl]ethanamine
CID 63554015
N-[(3-ethyl-1-methylpyrazol-4-yl)-(2-methylphenyl)methyl]ethanamine
CID 102812013
N-[(2,6-dimethyl-3-pyridinyl)-pyrazin-2-ylmethyl]ethanamine
CID 105150000
1-(2,6-dimethyl-3-pyridinyl)-N-ethylbutan-1-amine
CID 105080327
N-[(2-methylphenyl)-naphthalen-2-ylmethyl]ethanamine
CID 63413907

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethyl-3-pyridinyl)-(2-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2,6-dimethyl-3-pyridinyl)-(2-methylphenyl)methyl]ethanamine (CID 105094633) is N-[(2,6-dimethyl-3-pyridinyl)-(2-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,6-dimethyl-3-pyridinyl)-(2-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,6-dimethyl-3-pyridinyl)-(2-methylphenyl)methyl]ethanamine is CCNC(c1ccccc1C)c1ccc(C)nc1C.
What is the InChIKey of N-[(2,6-dimethyl-3-pyridinyl)-(2-methylphenyl)methyl]ethanamine?
The InChIKey is AIFIVUMWMUPLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-5-18-17(15-9-7-6-8-12(15)2)16-11-10-13(3)19-14(16)4/h6-11,17-18H,5H2,1-4H3.
What are the key properties of N-[(2,6-dimethyl-3-pyridinyl)-(2-methylphenyl)methyl]ethanamine?
N-[(2,6-dimethyl-3-pyridinyl)-(2-methylphenyl)methyl]ethanamine has a molecular weight of 254.38 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethyl-3-pyridinyl)-(2-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 105094633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).