N-phenyl-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine

C22H23N3O — CID 24954444

IUPACN-phenyl-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine
SMILESc1ccc(Nc2ccc(CN3CCO[C@@H](c4ccccc4)C3)cn2)cc1
InChIInChI=1S/C22H23N3O/c1-3-7-19(8-4-1)21-17-25(13-14-26-21)16-18-11-12-22(23-15-18)24-20-9-5-2-6-10-20/h1-12,15,21H,13-14,16-17H2,(H,23,24)/t21-/m1/s1
InChIKeyRPDZLBGRHMNTST-OAQYLSRUSA-N
MW345.45 g/mol
LogP4.40
Rot. Bonds5

About N-phenyl-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine

N-phenyl-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine (PubChem CID 24954444) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-phenyl-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-phenyl-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine
PubChem CID24954444
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-phenyl-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine
SMILESc1ccc(Nc2ccc(CN3CCO[C@@H](c4ccccc4)C3)cn2)cc1
InChIInChI=1S/C22H23N3O/c1-3-7-19(8-4-1)21-17-25(13-14-26-21)16-18-11-12-22(23-15-18)24-20-9-5-2-6-10-20/h1-12,15,21H,13-14,16-17H2,(H,23,24)/t21-/m1/s1
InChIKeyRPDZLBGRHMNTST-OAQYLSRUSA-N
XLogP4.40
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine?
The IUPAC name of N-phenyl-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine (CID 24954444) is N-phenyl-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine.
What is the SMILES notation for N-phenyl-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine?
The canonical SMILES for N-phenyl-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine is c1ccc(Nc2ccc(CN3CCO[C@@H](c4ccccc4)C3)cn2)cc1.
What is the InChIKey of N-phenyl-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine?
The InChIKey is RPDZLBGRHMNTST-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H23N3O/c1-3-7-19(8-4-1)21-17-25(13-14-26-21)16-18-11-12-22(23-15-18)24-20-9-5-2-6-10-20/h1-12,15,21H,13-14,16-17H2,(H,23,24)/t21-/m1/s1.
What are the key properties of N-phenyl-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine?
N-phenyl-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine has a molecular weight of 345.45 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 24954444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).