N-[[2-(methoxymethyl)phenyl]methyl]-1-pyridin-4-ylmethanamine

C15H18N2O — CID 60744303

IUPACN-[[2-(methoxymethyl)phenyl]methyl]-1-pyridin-4-ylmethanamine
SMILESCOCc1ccccc1CNCc1ccncc1
InChIInChI=1S/C15H18N2O/c1-18-12-15-5-3-2-4-14(15)11-17-10-13-6-8-16-9-7-13/h2-9,17H,10-12H2,1H3
InChIKeyZWRXEXRNDBIEPS-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.52
Rot. Bonds6

About N-[[2-(methoxymethyl)phenyl]methyl]-1-pyridin-4-ylmethanamine

N-[[2-(methoxymethyl)phenyl]methyl]-1-pyridin-4-ylmethanamine (PubChem CID 60744303) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)phenyl]methyl]-1-pyridin-4-ylmethanamine.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)phenyl]methyl]-1-pyridin-4-ylmethanamine
PubChem CID60744303
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-[[2-(methoxymethyl)phenyl]methyl]-1-pyridin-4-ylmethanamine
SMILESCOCc1ccccc1CNCc1ccncc1
InChIInChI=1S/C15H18N2O/c1-18-12-15-5-3-2-4-14(15)11-17-10-13-6-8-16-9-7-13/h2-9,17H,10-12H2,1H3
InChIKeyZWRXEXRNDBIEPS-UHFFFAOYSA-N
XLogP2.52
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(methoxymethyl)phenyl]methyl]-1-(4-methylphenyl)methanamine
CID 60744138
1-(4-ethylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 60743821
1-(3,4-dichlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 60744348
N-[[2-(methoxymethyl)phenyl]methyl]-1-(2-methylphenyl)methanamine
CID 60744139
1-[2-(methoxymethyl)phenyl]-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 54861685
1-(3-chlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 60744302
N-[(2-chlorophenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 6459303
1-[2-(methoxymethyl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 47034851
1-(3-bromo-4-methylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 115875971
1-(4-fluoro-3-methylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 62121979
3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]pyridine-2-carbonitrile
CID 62895390
1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 60923656

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-1-pyridin-4-ylmethanamine?
The IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-1-pyridin-4-ylmethanamine (CID 60744303) is N-[[2-(methoxymethyl)phenyl]methyl]-1-pyridin-4-ylmethanamine.
What is the SMILES notation for N-[[2-(methoxymethyl)phenyl]methyl]-1-pyridin-4-ylmethanamine?
The canonical SMILES for N-[[2-(methoxymethyl)phenyl]methyl]-1-pyridin-4-ylmethanamine is COCc1ccccc1CNCc1ccncc1.
What is the InChIKey of N-[[2-(methoxymethyl)phenyl]methyl]-1-pyridin-4-ylmethanamine?
The InChIKey is ZWRXEXRNDBIEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-18-12-15-5-3-2-4-14(15)11-17-10-13-6-8-16-9-7-13/h2-9,17H,10-12H2,1H3.
What are the key properties of N-[[2-(methoxymethyl)phenyl]methyl]-1-pyridin-4-ylmethanamine?
N-[[2-(methoxymethyl)phenyl]methyl]-1-pyridin-4-ylmethanamine has a molecular weight of 242.32 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)phenyl]methyl]-1-pyridin-4-ylmethanamine is sourced from PubChem (CID 60744303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).