4-(methoxymethyl)-N-(pyridin-3-ylmethyl)aniline

C14H16N2O — CID 83961082

IUPAC4-(methoxymethyl)-N-(pyridin-3-ylmethyl)aniline
SMILESCOCc1ccc(NCc2cccnc2)cc1
InChIInChI=1S/C14H16N2O/c1-17-11-12-4-6-14(7-5-12)16-10-13-3-2-8-15-9-13/h2-9,16H,10-11H2,1H3
InChIKeyFLUCEDTYSPLQBY-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.84
Rot. Bonds5

About 4-(methoxymethyl)-N-(pyridin-3-ylmethyl)aniline

4-(methoxymethyl)-N-(pyridin-3-ylmethyl)aniline (PubChem CID 83961082) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-(pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound Name4-(methoxymethyl)-N-(pyridin-3-ylmethyl)aniline
PubChem CID83961082
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name4-(methoxymethyl)-N-(pyridin-3-ylmethyl)aniline
SMILESCOCc1ccc(NCc2cccnc2)cc1
InChIInChI=1S/C14H16N2O/c1-17-11-12-4-6-14(7-5-12)16-10-13-3-2-8-15-9-13/h2-9,16H,10-11H2,1H3
InChIKeyFLUCEDTYSPLQBY-UHFFFAOYSA-N
XLogP2.84
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
4-butyl-N-(pyridin-3-ylmethyl)aniline
CID 28675603
methyl 2-methyl-2-[4-(pyridin-3-ylmethylamino)phenyl]propanoate
CID 75500018
4-[(4-methylpiperazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)aniline
CID 112721039
N-propan-2-yl-4-(pyridin-3-ylmethylamino)benzenesulfonamide
CID 43454156
N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)aniline
CID 83961111
4-methoxy-N-[4-(pyridin-3-ylmethylamino)phenyl]benzamide
CID 112983018
2-methyl-1-[4-(pyridin-3-ylmethylamino)phenyl]propan-1-one
CID 95463721
3-[[4-(dimethylsulfamoylamino)anilino]methyl]pyridine
CID 112983066
N-(2-methoxyethyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109183851
6-methoxy-2-(methoxymethyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 82456595
3-bromo-4-methyl-N-(pyridin-3-ylmethyl)aniline
CID 39375964

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-(pyridin-3-ylmethyl)aniline?
The IUPAC name of 4-(methoxymethyl)-N-(pyridin-3-ylmethyl)aniline (CID 83961082) is 4-(methoxymethyl)-N-(pyridin-3-ylmethyl)aniline.
What is the SMILES notation for 4-(methoxymethyl)-N-(pyridin-3-ylmethyl)aniline?
The canonical SMILES for 4-(methoxymethyl)-N-(pyridin-3-ylmethyl)aniline is COCc1ccc(NCc2cccnc2)cc1.
What is the InChIKey of 4-(methoxymethyl)-N-(pyridin-3-ylmethyl)aniline?
The InChIKey is FLUCEDTYSPLQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-17-11-12-4-6-14(7-5-12)16-10-13-3-2-8-15-9-13/h2-9,16H,10-11H2,1H3.
What are the key properties of 4-(methoxymethyl)-N-(pyridin-3-ylmethyl)aniline?
4-(methoxymethyl)-N-(pyridin-3-ylmethyl)aniline has a molecular weight of 228.29 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-(pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 83961082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).