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

C22H22ClN3O — CID 24955526

IUPACN-(4-chlorophenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine
SMILESClc1ccc(Nc2ccc(CN3CCO[C@@H](c4ccccc4)C3)cn2)cc1
InChIInChI=1S/C22H22ClN3O/c23-19-7-9-20(10-8-19)25-22-11-6-17(14-24-22)15-26-12-13-27-21(16-26)18-4-2-1-3-5-18/h1-11,14,21H,12-13,15-16H2,(H,24,25)/t21-/m1/s1
InChIKeyRFYRPEFHYAKDDB-OAQYLSRUSA-N
MW379.89 g/mol
LogP5.05
Rot. Bonds5

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

N-(4-chlorophenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine (PubChem CID 24955526) has the molecular formula C22H22ClN3O and a molecular weight of 379.89 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine
PubChem CID24955526
Molecular FormulaC22H22ClN3O
Molecular Weight379.89 g/mol
Exact Mass379.15
IUPAC NameN-(4-chlorophenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine
SMILESClc1ccc(Nc2ccc(CN3CCO[C@@H](c4ccccc4)C3)cn2)cc1
InChIInChI=1S/C22H22ClN3O/c23-19-7-9-20(10-8-19)25-22-11-6-17(14-24-22)15-26-12-13-27-21(16-26)18-4-2-1-3-5-18/h1-11,14,21H,12-13,15-16H2,(H,24,25)/t21-/m1/s1
InChIKeyRFYRPEFHYAKDDB-OAQYLSRUSA-N
XLogP5.05
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.89
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine?
The IUPAC name of N-(4-chlorophenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine (CID 24955526) is N-(4-chlorophenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine is Clc1ccc(Nc2ccc(CN3CCO[C@@H](c4ccccc4)C3)cn2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine?
The InChIKey is RFYRPEFHYAKDDB-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H22ClN3O/c23-19-7-9-20(10-8-19)25-22-11-6-17(14-24-22)15-26-12-13-27-21(16-26)18-4-2-1-3-5-18/h1-11,14,21H,12-13,15-16H2,(H,24,25)/t21-/m1/s1.
What are the key properties of N-(4-chlorophenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine?
N-(4-chlorophenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine has a molecular weight of 379.89 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 24955526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).