(1R)-N-[(3,4-dimethoxyphenyl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine

C21H22N2O2 — CID 32670529

IUPAC(1R)-N-[(3,4-dimethoxyphenyl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine
SMILESCOc1ccc(CN[C@H](c2ccccc2)c2ccccn2)cc1OC
InChIInChI=1S/C21H22N2O2/c1-24-19-12-11-16(14-20(19)25-2)15-23-21(17-8-4-3-5-9-17)18-10-6-7-13-22-18/h3-14,21,23H,15H2,1-2H3/t21-/m1/s1
InChIKeyUIKMKMULKUDQEK-OAQYLSRUSA-N
MW334.42 g/mol
LogP3.98
Rot. Bonds7

About (1R)-N-[(3,4-dimethoxyphenyl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine

(1R)-N-[(3,4-dimethoxyphenyl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine (PubChem CID 32670529) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is (1R)-N-[(3,4-dimethoxyphenyl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound Name(1R)-N-[(3,4-dimethoxyphenyl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine
PubChem CID32670529
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name(1R)-N-[(3,4-dimethoxyphenyl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine
SMILESCOc1ccc(CN[C@H](c2ccccc2)c2ccccn2)cc1OC
InChIInChI=1S/C21H22N2O2/c1-24-19-12-11-16(14-20(19)25-2)15-23-21(17-8-4-3-5-9-17)18-10-6-7-13-22-18/h3-14,21,23H,15H2,1-2H3/t21-/m1/s1
InChIKeyUIKMKMULKUDQEK-OAQYLSRUSA-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

(1S)-N-benzyl-1-(3,5-dimethoxyphenyl)-1-pyridin-2-ylmethanamine
CID 162374208
(1S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-pyridin-2-ylethanamine
CID 78978043
(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-pyridin-2-ylethanamine
CID 81402354
N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine
CID 2446536
1-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 47008253
2-[(3,4-dimethoxyphenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride
CID 12999288
2-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 42907688
2-[2-methoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide
CID 7384832
3-(2-methoxyphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 78778808
2-methoxy-4-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]benzonitrile
CID 106787755
2-(benzhydrylamino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 46631034
1-[(2-methoxyphenyl)methyl]-3-[phenyl(pyridin-2-yl)methyl]urea
CID 46596546

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(3,4-dimethoxyphenyl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine?
The IUPAC name of (1R)-N-[(3,4-dimethoxyphenyl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine (CID 32670529) is (1R)-N-[(3,4-dimethoxyphenyl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine.
What is the SMILES notation for (1R)-N-[(3,4-dimethoxyphenyl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine?
The canonical SMILES for (1R)-N-[(3,4-dimethoxyphenyl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine is COc1ccc(CN[C@H](c2ccccc2)c2ccccn2)cc1OC.
What is the InChIKey of (1R)-N-[(3,4-dimethoxyphenyl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine?
The InChIKey is UIKMKMULKUDQEK-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-24-19-12-11-16(14-20(19)25-2)15-23-21(17-8-4-3-5-9-17)18-10-6-7-13-22-18/h3-14,21,23H,15H2,1-2H3/t21-/m1/s1.
What are the key properties of (1R)-N-[(3,4-dimethoxyphenyl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine?
(1R)-N-[(3,4-dimethoxyphenyl)methyl]-1-phenyl-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 (1R)-N-[(3,4-dimethoxyphenyl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 32670529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).