2-[5-(3,4-dimethylphenoxy)-3-pyridinyl]ethanamine

C15H18N2O — CID 113469863

IUPAC2-[5-(3,4-dimethylphenoxy)-3-pyridinyl]ethanamine
SMILESCc1ccc(Oc2cncc(CCN)c2)cc1C
InChIInChI=1S/C15H18N2O/c1-11-3-4-14(7-12(11)2)18-15-8-13(5-6-16)9-17-10-15/h3-4,7-10H,5-6,16H2,1-2H3
InChIKeyVGZNKNCJRMKNGB-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.99
Rot. Bonds4

About 2-[5-(3,4-dimethylphenoxy)-3-pyridinyl]ethanamine

2-[5-(3,4-dimethylphenoxy)-3-pyridinyl]ethanamine (PubChem CID 113469863) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[5-(3,4-dimethylphenoxy)-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[5-(3,4-dimethylphenoxy)-3-pyridinyl]ethanamine
PubChem CID113469863
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-[5-(3,4-dimethylphenoxy)-3-pyridinyl]ethanamine
SMILESCc1ccc(Oc2cncc(CCN)c2)cc1C
InChIInChI=1S/C15H18N2O/c1-11-3-4-14(7-12(11)2)18-15-8-13(5-6-16)9-17-10-15/h3-4,7-10H,5-6,16H2,1-2H3
InChIKeyVGZNKNCJRMKNGB-UHFFFAOYSA-N
XLogP2.99
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(chloromethyl)-5-(3-fluoro-4-methylphenoxy)pyridine
CID 107169727
2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]ethanamine
CID 105350576
2-[3-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]ethanamine
CID 22681607
5-(3-fluoro-4-methylphenoxy)pyridin-3-amine
CID 107171750
[5-(3-chloro-4-fluorophenoxy)-3-pyridinyl]methanamine
CID 113469610
2-[4-(4-bromo-3,5-dimethylphenoxy)phenyl]ethanamine
CID 107726956
[4-(3,4-dimethylphenoxy)-2-pyridinyl]methanamine
CID 62297494
2-[3-(6-methylpyrazin-2-yl)oxyphenyl]ethanamine
CID 170868674
[3-(3,4-dimethylphenoxy)-4-pyridinyl]methanamine
CID 59112975
2-(5-quinolin-5-yloxy-3-pyridinyl)ethanamine
CID 103045965
[5-(3-ethoxyphenoxy)-3-pyridinyl]methanamine
CID 113469599
2-(4-pyridin-3-yloxyphenyl)ethanamine
CID 63815033

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,4-dimethylphenoxy)-3-pyridinyl]ethanamine?
The IUPAC name of 2-[5-(3,4-dimethylphenoxy)-3-pyridinyl]ethanamine (CID 113469863) is 2-[5-(3,4-dimethylphenoxy)-3-pyridinyl]ethanamine.
What is the SMILES notation for 2-[5-(3,4-dimethylphenoxy)-3-pyridinyl]ethanamine?
The canonical SMILES for 2-[5-(3,4-dimethylphenoxy)-3-pyridinyl]ethanamine is Cc1ccc(Oc2cncc(CCN)c2)cc1C.
What is the InChIKey of 2-[5-(3,4-dimethylphenoxy)-3-pyridinyl]ethanamine?
The InChIKey is VGZNKNCJRMKNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-3-4-14(7-12(11)2)18-15-8-13(5-6-16)9-17-10-15/h3-4,7-10H,5-6,16H2,1-2H3.
What are the key properties of 2-[5-(3,4-dimethylphenoxy)-3-pyridinyl]ethanamine?
2-[5-(3,4-dimethylphenoxy)-3-pyridinyl]ethanamine has a molecular weight of 242.32 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,4-dimethylphenoxy)-3-pyridinyl]ethanamine is sourced from PubChem (CID 113469863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).