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

C15H18N2O — CID 114199212

IUPAC[2-[(2,4-dimethylphenoxy)methyl]-3-pyridinyl]methanamine
SMILESCc1ccc(OCc2ncccc2CN)c(C)c1
InChIInChI=1S/C15H18N2O/c1-11-5-6-15(12(2)8-11)18-10-14-13(9-16)4-3-7-17-14/h3-8H,9-10,16H2,1-2H3
InChIKeyJSOGQWCHOVJVCY-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.74
Rot. Bonds4

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

[2-[(2,4-dimethylphenoxy)methyl]-3-pyridinyl]methanamine (PubChem CID 114199212) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is [2-[(2,4-dimethylphenoxy)methyl]-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-[(2,4-dimethylphenoxy)methyl]-3-pyridinyl]methanamine
PubChem CID114199212
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name[2-[(2,4-dimethylphenoxy)methyl]-3-pyridinyl]methanamine
SMILESCc1ccc(OCc2ncccc2CN)c(C)c1
InChIInChI=1S/C15H18N2O/c1-11-5-6-15(12(2)8-11)18-10-14-13(9-16)4-3-7-17-14/h3-8H,9-10,16H2,1-2H3
InChIKeyJSOGQWCHOVJVCY-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(4-methylphenoxy)methyl]-3-pyridinyl]methanamine
CID 105485819
[2-[(2-methoxyphenoxy)methyl]-3-pyridinyl]methanamine
CID 114199233
[2-[(2-fluorophenoxy)methyl]-3-pyridinyl]methanamine
CID 114199215
[2-(phenoxymethyl)-3-pyridinyl]methanamine
CID 105467789
3-[[2-(aminomethyl)-4-methylphenoxy]methyl]pyridine-2-carbonitrile
CID 55205880
[2-[(2,4-dimethylphenoxy)methyl]-4-fluorophenyl]methanamine
CID 64765020
1-[5-methyl-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 112649868
[2-(2,4-dimethylphenoxy)phenyl]methanamine
CID 19627395
[2-(2-bromo-4-methylphenoxy)-3-pyridinyl]methanamine
CID 43528676
2-[(2,4-dimethylphenoxy)methyl]benzenethiol
CID 54329729
[3-[(4-methylphenoxy)methyl]-2-pyridinyl]methanamine
CID 62893839
[5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]methanamine
CID 62452413

Frequently Asked Questions

What is the IUPAC name of [2-[(2,4-dimethylphenoxy)methyl]-3-pyridinyl]methanamine?
The IUPAC name of [2-[(2,4-dimethylphenoxy)methyl]-3-pyridinyl]methanamine (CID 114199212) is [2-[(2,4-dimethylphenoxy)methyl]-3-pyridinyl]methanamine.
What is the SMILES notation for [2-[(2,4-dimethylphenoxy)methyl]-3-pyridinyl]methanamine?
The canonical SMILES for [2-[(2,4-dimethylphenoxy)methyl]-3-pyridinyl]methanamine is Cc1ccc(OCc2ncccc2CN)c(C)c1.
What is the InChIKey of [2-[(2,4-dimethylphenoxy)methyl]-3-pyridinyl]methanamine?
The InChIKey is JSOGQWCHOVJVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-5-6-15(12(2)8-11)18-10-14-13(9-16)4-3-7-17-14/h3-8H,9-10,16H2,1-2H3.
What are the key properties of [2-[(2,4-dimethylphenoxy)methyl]-3-pyridinyl]methanamine?
[2-[(2,4-dimethylphenoxy)methyl]-3-pyridinyl]methanamine has a molecular weight of 242.32 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,4-dimethylphenoxy)methyl]-3-pyridinyl]methanamine is sourced from PubChem (CID 114199212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).