[4-(2,3-dimethylphenoxy)-3-pyridinyl]methanamine

C14H16N2O — CID 81250207

IUPAC[4-(2,3-dimethylphenoxy)-3-pyridinyl]methanamine
SMILESCc1cccc(Oc2ccncc2CN)c1C
InChIInChI=1S/C14H16N2O/c1-10-4-3-5-13(11(10)2)17-14-6-7-16-9-12(14)8-15/h3-7,9H,8,15H2,1-2H3
InChIKeyUYDJBRPQAFYFHK-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.95
Rot. Bonds3

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

[4-(2,3-dimethylphenoxy)-3-pyridinyl]methanamine (PubChem CID 81250207) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is [4-(2,3-dimethylphenoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(2,3-dimethylphenoxy)-3-pyridinyl]methanamine
PubChem CID81250207
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name[4-(2,3-dimethylphenoxy)-3-pyridinyl]methanamine
SMILESCc1cccc(Oc2ccncc2CN)c1C
InChIInChI=1S/C14H16N2O/c1-10-4-3-5-13(11(10)2)17-14-6-7-16-9-12(14)8-15/h3-7,9H,8,15H2,1-2H3
InChIKeyUYDJBRPQAFYFHK-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

4-(chloromethyl)-3-(2,3-dimethylphenoxy)pyridine
CID 105067641
[4-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methanamine
CID 116689981
[4-(3-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 81250345
3-[[3-(aminomethyl)-4-pyridinyl]oxy]-N,N-dimethylaniline
CID 81251232
[4-(2,5-dibromo-4-methoxyphenoxy)-3-pyridinyl]methanamine
CID 81251189
[4-(2-tert-butyl-5-methylphenoxy)-3-pyridinyl]methanamine
CID 81255272
[4-(4-ethylphenoxy)-3-pyridinyl]methanamine
CID 81250347
1,2-dimethyl-3-(2-propylphenoxy)benzene
CID 173291845
1-[2-(2,3-dimethylphenoxy)phenyl]propan-2-amine
CID 63817683
[3-(aminomethyl)-4-pyridinyl]methanamine;dihydrochloride
CID 66524168
[4-(2,3-dimethylphenoxy)quinolin-2-yl]methanamine
CID 63377413
2-[2-[(3-methyl-4-pyridinyl)oxy]phenyl]acetic acid
CID 80742147

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dimethylphenoxy)-3-pyridinyl]methanamine?
The IUPAC name of [4-(2,3-dimethylphenoxy)-3-pyridinyl]methanamine (CID 81250207) is [4-(2,3-dimethylphenoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [4-(2,3-dimethylphenoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [4-(2,3-dimethylphenoxy)-3-pyridinyl]methanamine is Cc1cccc(Oc2ccncc2CN)c1C.
What is the InChIKey of [4-(2,3-dimethylphenoxy)-3-pyridinyl]methanamine?
The InChIKey is UYDJBRPQAFYFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10-4-3-5-13(11(10)2)17-14-6-7-16-9-12(14)8-15/h3-7,9H,8,15H2,1-2H3.
What are the key properties of [4-(2,3-dimethylphenoxy)-3-pyridinyl]methanamine?
[4-(2,3-dimethylphenoxy)-3-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 [4-(2,3-dimethylphenoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 81250207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).