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

C25H29N3O — CID 44573542

IUPAC5-[[(2S)-2-phenylmorpholin-4-yl]methyl]-N-(4-propan-2-ylphenyl)pyridin-2-amine
SMILESCC(C)c1ccc(Nc2ccc(CN3CCO[C@@H](c4ccccc4)C3)cn2)cc1
InChIInChI=1S/C25H29N3O/c1-19(2)21-9-11-23(12-10-21)27-25-13-8-20(16-26-25)17-28-14-15-29-24(18-28)22-6-4-3-5-7-22/h3-13,16,19,24H,14-15,17-18H2,1-2H3,(H,26,27)/t24-/m1/s1
InChIKeyIYMPLFJTPWXXDJ-XMMPIXPASA-N
MW387.53 g/mol
LogP5.52
Rot. Bonds6

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

5-[[(2S)-2-phenylmorpholin-4-yl]methyl]-N-(4-propan-2-ylphenyl)pyridin-2-amine (PubChem CID 44573542) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is 5-[[(2S)-2-phenylmorpholin-4-yl]methyl]-N-(4-propan-2-ylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[[(2S)-2-phenylmorpholin-4-yl]methyl]-N-(4-propan-2-ylphenyl)pyridin-2-amine
PubChem CID44573542
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC Name5-[[(2S)-2-phenylmorpholin-4-yl]methyl]-N-(4-propan-2-ylphenyl)pyridin-2-amine
SMILESCC(C)c1ccc(Nc2ccc(CN3CCO[C@@H](c4ccccc4)C3)cn2)cc1
InChIInChI=1S/C25H29N3O/c1-19(2)21-9-11-23(12-10-21)27-25-13-8-20(16-26-25)17-28-14-15-29-24(18-28)22-6-4-3-5-7-22/h3-13,16,19,24H,14-15,17-18H2,1-2H3,(H,26,27)/t24-/m1/s1
InChIKeyIYMPLFJTPWXXDJ-XMMPIXPASA-N
XLogP5.52
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.53
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-2-phenylmorpholin-4-yl]methyl]-N-(4-propan-2-ylphenyl)pyridin-2-amine?
The IUPAC name of 5-[[(2S)-2-phenylmorpholin-4-yl]methyl]-N-(4-propan-2-ylphenyl)pyridin-2-amine (CID 44573542) is 5-[[(2S)-2-phenylmorpholin-4-yl]methyl]-N-(4-propan-2-ylphenyl)pyridin-2-amine.
What is the SMILES notation for 5-[[(2S)-2-phenylmorpholin-4-yl]methyl]-N-(4-propan-2-ylphenyl)pyridin-2-amine?
The canonical SMILES for 5-[[(2S)-2-phenylmorpholin-4-yl]methyl]-N-(4-propan-2-ylphenyl)pyridin-2-amine is CC(C)c1ccc(Nc2ccc(CN3CCO[C@@H](c4ccccc4)C3)cn2)cc1.
What is the InChIKey of 5-[[(2S)-2-phenylmorpholin-4-yl]methyl]-N-(4-propan-2-ylphenyl)pyridin-2-amine?
The InChIKey is IYMPLFJTPWXXDJ-XMMPIXPASA-N. The full InChI is InChI=1S/C25H29N3O/c1-19(2)21-9-11-23(12-10-21)27-25-13-8-20(16-26-25)17-28-14-15-29-24(18-28)22-6-4-3-5-7-22/h3-13,16,19,24H,14-15,17-18H2,1-2H3,(H,26,27)/t24-/m1/s1.
What are the key properties of 5-[[(2S)-2-phenylmorpholin-4-yl]methyl]-N-(4-propan-2-ylphenyl)pyridin-2-amine?
5-[[(2S)-2-phenylmorpholin-4-yl]methyl]-N-(4-propan-2-ylphenyl)pyridin-2-amine has a molecular weight of 387.53 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-2-phenylmorpholin-4-yl]methyl]-N-(4-propan-2-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 44573542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).