N-[(2-methoxyphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine

C22H24N2O — CID 46993097

IUPACN-[(2-methoxyphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine
SMILESCOc1ccccc1CN(CCc1ccccc1)Cc1cccnc1
InChIInChI=1S/C22H24N2O/c1-25-22-12-6-5-11-21(22)18-24(17-20-10-7-14-23-16-20)15-13-19-8-3-2-4-9-19/h2-12,14,16H,13,15,17-18H2,1H3
InChIKeyZIFHIYFSABBPRY-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.34
Rot. Bonds8

About N-[(2-methoxyphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine

N-[(2-methoxyphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine (PubChem CID 46993097) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine
PubChem CID46993097
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine
SMILESCOc1ccccc1CN(CCc1ccccc1)Cc1cccnc1
InChIInChI=1S/C22H24N2O/c1-25-22-12-6-5-11-21(22)18-24(17-20-10-7-14-23-16-20)15-13-19-8-3-2-4-9-19/h2-12,14,16H,13,15,17-18H2,1H3
InChIKeyZIFHIYFSABBPRY-UHFFFAOYSA-N
XLogP4.34
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methoxyphenyl)methyl-(2-phenylethyl)amino]ethanol
CID 110932203
N-(1H-benzimidazol-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 46983929
N-[(2-methoxyphenyl)methyl]-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]-1-pyridin-3-ylmethanamine
CID 46986491
N-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 129340589
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 51493246
N-[(2-methoxyphenyl)methyl]-N-[[(3R)-3-phenyloxolan-3-yl]methyl]-1-pyridin-3-ylmethanamine
CID 95046279
N,N-dimethyl-N'-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43818008
2-(2-methoxyphenyl)-N-propyl-N-(pyridin-3-ylmethyl)acetamide
CID 46997861
N-[(2-methoxyphenyl)methyl]-1-pyridin-3-yl-N-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]methanamine
CID 46999818
N-[(2-methoxy-5-phenylphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine
CID 46961440
2-methoxy-N-phenyl-N-(pyridin-3-ylmethyl)aniline
CID 142170864
4-[[2-phenylethyl(pyridin-3-ylmethyl)amino]methyl]benzamide
CID 91784965

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine (CID 46993097) is N-[(2-methoxyphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine is COc1ccccc1CN(CCc1ccccc1)Cc1cccnc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine?
The InChIKey is ZIFHIYFSABBPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-25-22-12-6-5-11-21(22)18-24(17-20-10-7-14-23-16-20)15-13-19-8-3-2-4-9-19/h2-12,14,16H,13,15,17-18H2,1H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine?
N-[(2-methoxyphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine has a molecular weight of 332.45 g/mol, XLogP of 4.34, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 46993097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).