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

C23H25N3O — CID 24955527

IUPACN-(4-methylphenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine
SMILESCc1ccc(Nc2ccc(CN3CCO[C@@H](c4ccccc4)C3)cn2)cc1
InChIInChI=1S/C23H25N3O/c1-18-7-10-21(11-8-18)25-23-12-9-19(15-24-23)16-26-13-14-27-22(17-26)20-5-3-2-4-6-20/h2-12,15,22H,13-14,16-17H2,1H3,(H,24,25)/t22-/m1/s1
InChIKeyBWBSIQMCKKQPHN-JOCHJYFZSA-N
MW359.47 g/mol
LogP4.71
Rot. Bonds5

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

N-(4-methylphenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine (PubChem CID 24955527) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is N-(4-methylphenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine
PubChem CID24955527
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC NameN-(4-methylphenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine
SMILESCc1ccc(Nc2ccc(CN3CCO[C@@H](c4ccccc4)C3)cn2)cc1
InChIInChI=1S/C23H25N3O/c1-18-7-10-21(11-8-18)25-23-12-9-19(15-24-23)16-26-13-14-27-22(17-26)20-5-3-2-4-6-20/h2-12,15,22H,13-14,16-17H2,1H3,(H,24,25)/t22-/m1/s1
InChIKeyBWBSIQMCKKQPHN-JOCHJYFZSA-N
XLogP4.71
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine?
The IUPAC name of N-(4-methylphenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine (CID 24955527) is N-(4-methylphenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine.
What is the SMILES notation for N-(4-methylphenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine?
The canonical SMILES for N-(4-methylphenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine is Cc1ccc(Nc2ccc(CN3CCO[C@@H](c4ccccc4)C3)cn2)cc1.
What is the InChIKey of N-(4-methylphenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine?
The InChIKey is BWBSIQMCKKQPHN-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H25N3O/c1-18-7-10-21(11-8-18)25-23-12-9-19(15-24-23)16-26-13-14-27-22(17-26)20-5-3-2-4-6-20/h2-12,15,22H,13-14,16-17H2,1H3,(H,24,25)/t22-/m1/s1.
What are the key properties of N-(4-methylphenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine?
N-(4-methylphenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine has a molecular weight of 359.47 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 24955527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).