1-[2-methoxy-5-(pyridin-3-ylmethyl)phenyl]-N-methylmethanamine

C15H18N2O — CID 104736885

IUPAC1-[2-methoxy-5-(pyridin-3-ylmethyl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cc2cccnc2)ccc1OC
InChIInChI=1S/C15H18N2O/c1-16-11-14-9-12(5-6-15(14)18-2)8-13-4-3-7-17-10-13/h3-7,9-10,16H,8,11H2,1-2H3
InChIKeyWWGZGFPVERFLLX-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.40
Rot. Bonds5

About 1-[2-methoxy-5-(pyridin-3-ylmethyl)phenyl]-N-methylmethanamine

1-[2-methoxy-5-(pyridin-3-ylmethyl)phenyl]-N-methylmethanamine (PubChem CID 104736885) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[2-methoxy-5-(pyridin-3-ylmethyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-methoxy-5-(pyridin-3-ylmethyl)phenyl]-N-methylmethanamine
PubChem CID104736885
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-[2-methoxy-5-(pyridin-3-ylmethyl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cc2cccnc2)ccc1OC
InChIInChI=1S/C15H18N2O/c1-16-11-14-9-12(5-6-15(14)18-2)8-13-4-3-7-17-10-13/h3-7,9-10,16H,8,11H2,1-2H3
InChIKeyWWGZGFPVERFLLX-UHFFFAOYSA-N
XLogP2.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 43278584
N-methyl-1-[5-methyl-2-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 63323196
N-methyl-1-pyridin-3-ylmethanamine;hydrochloride
CID 17290665
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
N-methyl-1-[5-nitro-2-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 43472667
1-[4-methoxy-3-(pyrazin-2-ylsulfanylmethyl)phenyl]-N-methylmethanamine
CID 64627024
N-[(3,4-dimethoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947614
N-[(5-chloro-2-methoxyphenyl)methyl]pyridin-3-amine
CID 54905217
1-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 1075948
1-(2-methoxy-5-phenoxyphenyl)-N-methylmethanamine
CID 82552149
1-(2,5-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 43182272
5-[(dimethylamino)methyl]-2-methoxy-N-(pyridin-3-ylmethyl)aniline
CID 43686524

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-5-(pyridin-3-ylmethyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-methoxy-5-(pyridin-3-ylmethyl)phenyl]-N-methylmethanamine (CID 104736885) is 1-[2-methoxy-5-(pyridin-3-ylmethyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-methoxy-5-(pyridin-3-ylmethyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-methoxy-5-(pyridin-3-ylmethyl)phenyl]-N-methylmethanamine is CNCc1cc(Cc2cccnc2)ccc1OC.
What is the InChIKey of 1-[2-methoxy-5-(pyridin-3-ylmethyl)phenyl]-N-methylmethanamine?
The InChIKey is WWGZGFPVERFLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-16-11-14-9-12(5-6-15(14)18-2)8-13-4-3-7-17-10-13/h3-7,9-10,16H,8,11H2,1-2H3.
What are the key properties of 1-[2-methoxy-5-(pyridin-3-ylmethyl)phenyl]-N-methylmethanamine?
1-[2-methoxy-5-(pyridin-3-ylmethyl)phenyl]-N-methylmethanamine has a molecular weight of 242.32 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-5-(pyridin-3-ylmethyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 104736885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).