(1S)-N-benzyl-1-(3,5-dimethoxyphenyl)-1-pyridin-2-ylmethanamine

C21H22N2O2 — CID 162374208

IUPAC(1S)-N-benzyl-1-(3,5-dimethoxyphenyl)-1-pyridin-2-ylmethanamine
SMILESCOc1cc(OC)cc([C@H](NCc2ccccc2)c2ccccn2)c1
InChIInChI=1S/C21H22N2O2/c1-24-18-12-17(13-19(14-18)25-2)21(20-10-6-7-11-22-20)23-15-16-8-4-3-5-9-16/h3-14,21,23H,15H2,1-2H3/t21-/m0/s1
InChIKeyNPAUECFGCLMCGZ-NRFANRHFSA-N
MW334.42 g/mol
LogP3.98
Rot. Bonds7

About (1S)-N-benzyl-1-(3,5-dimethoxyphenyl)-1-pyridin-2-ylmethanamine

(1S)-N-benzyl-1-(3,5-dimethoxyphenyl)-1-pyridin-2-ylmethanamine (PubChem CID 162374208) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is (1S)-N-benzyl-1-(3,5-dimethoxyphenyl)-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound Name(1S)-N-benzyl-1-(3,5-dimethoxyphenyl)-1-pyridin-2-ylmethanamine
PubChem CID162374208
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name(1S)-N-benzyl-1-(3,5-dimethoxyphenyl)-1-pyridin-2-ylmethanamine
SMILESCOc1cc(OC)cc([C@H](NCc2ccccc2)c2ccccn2)c1
InChIInChI=1S/C21H22N2O2/c1-24-18-12-17(13-19(14-18)25-2)21(20-10-6-7-11-22-20)23-15-16-8-4-3-5-9-16/h3-14,21,23H,15H2,1-2H3/t21-/m0/s1
InChIKeyNPAUECFGCLMCGZ-NRFANRHFSA-N
XLogP3.98
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3,5-dimethoxyphenyl)-pyridin-2-ylmethyl]hydrazine
CID 105195951
(1R)-N-[(3,4-dimethoxyphenyl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine
CID 32670529
3,5-dimethoxy-N-[(R)-phenyl(pyridin-2-yl)methyl]benzamide
CID 25392445
methyl (2S)-2-(benzylamino)-2-pyridin-2-ylacetate
CID 101379126
1-(3,5-dimethoxyphenyl)-2-pyridin-2-ylpropan-1-ol
CID 66460720
2-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 42907688
(1S)-N-[(3-methoxy-5-nitrophenyl)methyl]-1-pyridin-2-ylethanamine
CID 81392926
(1R)-N-benzyl-1-phenyl-1-pyrimidin-2-ylmethanamine
CID 86338233
methyl 3-phenyl-2-[[2-[[phenyl(pyridin-2-yl)methyl]amino]acetyl]amino]propanoate
CID 78825131
N-ethyl-2-(3-methoxyphenyl)-1-pyridin-2-ylethanamine
CID 62600523
1-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 47008253
3-(3,4-dimethylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propan-1-amine
CID 55625647

Frequently Asked Questions

What is the IUPAC name of (1S)-N-benzyl-1-(3,5-dimethoxyphenyl)-1-pyridin-2-ylmethanamine?
The IUPAC name of (1S)-N-benzyl-1-(3,5-dimethoxyphenyl)-1-pyridin-2-ylmethanamine (CID 162374208) is (1S)-N-benzyl-1-(3,5-dimethoxyphenyl)-1-pyridin-2-ylmethanamine.
What is the SMILES notation for (1S)-N-benzyl-1-(3,5-dimethoxyphenyl)-1-pyridin-2-ylmethanamine?
The canonical SMILES for (1S)-N-benzyl-1-(3,5-dimethoxyphenyl)-1-pyridin-2-ylmethanamine is COc1cc(OC)cc([C@H](NCc2ccccc2)c2ccccn2)c1.
What is the InChIKey of (1S)-N-benzyl-1-(3,5-dimethoxyphenyl)-1-pyridin-2-ylmethanamine?
The InChIKey is NPAUECFGCLMCGZ-NRFANRHFSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-24-18-12-17(13-19(14-18)25-2)21(20-10-6-7-11-22-20)23-15-16-8-4-3-5-9-16/h3-14,21,23H,15H2,1-2H3/t21-/m0/s1.
What are the key properties of (1S)-N-benzyl-1-(3,5-dimethoxyphenyl)-1-pyridin-2-ylmethanamine?
(1S)-N-benzyl-1-(3,5-dimethoxyphenyl)-1-pyridin-2-ylmethanamine has a molecular weight of 334.42 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-benzyl-1-(3,5-dimethoxyphenyl)-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 162374208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).