[3-(3,4-dimethylphenoxy)-4-pyridinyl]methanamine

C14H16N2O — CID 59112975

IUPAC[3-(3,4-dimethylphenoxy)-4-pyridinyl]methanamine
SMILESCc1ccc(Oc2cnccc2CN)cc1C
InChIInChI=1S/C14H16N2O/c1-10-3-4-13(7-11(10)2)17-14-9-16-6-5-12(14)8-15/h3-7,9H,8,15H2,1-2H3
InChIKeyXVKCMLQATYBEBK-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.95
Rot. Bonds3

About [3-(3,4-dimethylphenoxy)-4-pyridinyl]methanamine

[3-(3,4-dimethylphenoxy)-4-pyridinyl]methanamine (PubChem CID 59112975) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is [3-(3,4-dimethylphenoxy)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-(3,4-dimethylphenoxy)-4-pyridinyl]methanamine
PubChem CID59112975
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name[3-(3,4-dimethylphenoxy)-4-pyridinyl]methanamine
SMILESCc1ccc(Oc2cnccc2CN)cc1C
InChIInChI=1S/C14H16N2O/c1-10-3-4-13(7-11(10)2)17-14-9-16-6-5-12(14)8-15/h3-7,9H,8,15H2,1-2H3
InChIKeyXVKCMLQATYBEBK-UHFFFAOYSA-N
XLogP2.95
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075308
[2-(3,4-dimethylphenoxy)-4-methylphenyl]methanamine
CID 62309021
4-(3,4-dimethylphenoxy)pyridin-3-amine
CID 28890163
[3-[4-fluoro-3-(trifluoromethyl)phenoxy]-4-pyridinyl]methanamine
CID 102746859
[3-(4-butylphenoxy)-4-pyridinyl]methanamine
CID 115492198
[3-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methanamine
CID 113443511
[5-bromo-2-(3,4-dimethylphenoxy)phenyl]methanamine
CID 114889855
[3-chloro-2-(3,4-dimethylphenoxy)-4-pyridinyl]methanamine
CID 107055950
N-[[4-(3,4-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81251065
N-[[3-(4-fluoro-3-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075869
[2-bromo-4-(3,4-dimethylphenoxy)-3-fluorophenyl]methanamine
CID 107532595
[4-(3,4-dimethylphenoxy)-2-pyridinyl]methanamine
CID 62297494

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dimethylphenoxy)-4-pyridinyl]methanamine?
The IUPAC name of [3-(3,4-dimethylphenoxy)-4-pyridinyl]methanamine (CID 59112975) is [3-(3,4-dimethylphenoxy)-4-pyridinyl]methanamine.
What is the SMILES notation for [3-(3,4-dimethylphenoxy)-4-pyridinyl]methanamine?
The canonical SMILES for [3-(3,4-dimethylphenoxy)-4-pyridinyl]methanamine is Cc1ccc(Oc2cnccc2CN)cc1C.
What is the InChIKey of [3-(3,4-dimethylphenoxy)-4-pyridinyl]methanamine?
The InChIKey is XVKCMLQATYBEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10-3-4-13(7-11(10)2)17-14-9-16-6-5-12(14)8-15/h3-7,9H,8,15H2,1-2H3.
What are the key properties of [3-(3,4-dimethylphenoxy)-4-pyridinyl]methanamine?
[3-(3,4-dimethylphenoxy)-4-pyridinyl]methanamine has a molecular weight of 228.29 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dimethylphenoxy)-4-pyridinyl]methanamine is sourced from PubChem (CID 59112975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).