[2-[(4-methylphenoxy)methyl]-3-pyridinyl]methanamine

C14H16N2O — CID 105485819

IUPAC[2-[(4-methylphenoxy)methyl]-3-pyridinyl]methanamine
SMILESCc1ccc(OCc2ncccc2CN)cc1
InChIInChI=1S/C14H16N2O/c1-11-4-6-13(7-5-11)17-10-14-12(9-15)3-2-8-16-14/h2-8H,9-10,15H2,1H3
InChIKeySPHBUTOTFMVMGA-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.43
Rot. Bonds4

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

[2-[(4-methylphenoxy)methyl]-3-pyridinyl]methanamine (PubChem CID 105485819) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is [2-[(4-methylphenoxy)methyl]-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-[(4-methylphenoxy)methyl]-3-pyridinyl]methanamine
PubChem CID105485819
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name[2-[(4-methylphenoxy)methyl]-3-pyridinyl]methanamine
SMILESCc1ccc(OCc2ncccc2CN)cc1
InChIInChI=1S/C14H16N2O/c1-11-4-6-13(7-5-11)17-10-14-12(9-15)3-2-8-16-14/h2-8H,9-10,15H2,1H3
InChIKeySPHBUTOTFMVMGA-UHFFFAOYSA-N
XLogP2.43
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(4-methylphenoxy)methyl]-2-pyridinyl]methanamine
CID 62893839
[2-(phenoxymethyl)-3-pyridinyl]methanamine
CID 105467789
3-[(4-methylphenoxy)methyl]pyridin-2-amine
CID 62464607
[2-[(2,4-dimethylphenoxy)methyl]-3-pyridinyl]methanamine
CID 114199212
[2-[(2-methoxyphenoxy)methyl]-3-pyridinyl]methanamine
CID 114199233
[2-[(5-bromo-3-pyridinyl)oxymethyl]-3-pyridinyl]methanamine
CID 114199251
[3-[(4-bromophenoxy)methyl]-2-pyridinyl]methanamine
CID 62895549
[2-[(2-fluorophenoxy)methyl]-3-pyridinyl]methanamine
CID 114199215
[3-(pyridin-3-yloxymethyl)-2-pyridinyl]methanamine
CID 62894701
[3-[(4-methylsulfonylphenoxy)methyl]-2-pyridinyl]methanamine
CID 62895729
3-methyl-2-[[4-(2-pyridin-4-ylphenyl)phenoxy]methyl]pyridine
CID 67026425
4-[(4-methylphenoxy)methyl]pyrimidine
CID 70843199

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methylphenoxy)methyl]-3-pyridinyl]methanamine?
The IUPAC name of [2-[(4-methylphenoxy)methyl]-3-pyridinyl]methanamine (CID 105485819) is [2-[(4-methylphenoxy)methyl]-3-pyridinyl]methanamine.
What is the SMILES notation for [2-[(4-methylphenoxy)methyl]-3-pyridinyl]methanamine?
The canonical SMILES for [2-[(4-methylphenoxy)methyl]-3-pyridinyl]methanamine is Cc1ccc(OCc2ncccc2CN)cc1.
What is the InChIKey of [2-[(4-methylphenoxy)methyl]-3-pyridinyl]methanamine?
The InChIKey is SPHBUTOTFMVMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-11-4-6-13(7-5-11)17-10-14-12(9-15)3-2-8-16-14/h2-8H,9-10,15H2,1H3.
What are the key properties of [2-[(4-methylphenoxy)methyl]-3-pyridinyl]methanamine?
[2-[(4-methylphenoxy)methyl]-3-pyridinyl]methanamine has a molecular weight of 228.30 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methylphenoxy)methyl]-3-pyridinyl]methanamine is sourced from PubChem (CID 105485819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).