N-(3,4-dichlorophenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine

C22H21Cl2N3O — CID 24955168

IUPACN-(3,4-dichlorophenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine
SMILESClc1ccc(Nc2ccc(CN3CCO[C@@H](c4ccccc4)C3)cn2)cc1Cl
InChIInChI=1S/C22H21Cl2N3O/c23-19-8-7-18(12-20(19)24)26-22-9-6-16(13-25-22)14-27-10-11-28-21(15-27)17-4-2-1-3-5-17/h1-9,12-13,21H,10-11,14-15H2,(H,25,26)/t21-/m1/s1
InChIKeyTVUMZAYTKKSFRM-OAQYLSRUSA-N
MW414.34 g/mol
LogP5.71
Rot. Bonds5

About N-(3,4-dichlorophenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine

N-(3,4-dichlorophenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine (PubChem CID 24955168) has the molecular formula C22H21Cl2N3O and a molecular weight of 414.34 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine
PubChem CID24955168
Molecular FormulaC22H21Cl2N3O
Molecular Weight414.34 g/mol
Exact Mass413.11
IUPAC NameN-(3,4-dichlorophenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine
SMILESClc1ccc(Nc2ccc(CN3CCO[C@@H](c4ccccc4)C3)cn2)cc1Cl
InChIInChI=1S/C22H21Cl2N3O/c23-19-8-7-18(12-20(19)24)26-22-9-6-16(13-25-22)14-27-10-11-28-21(15-27)17-4-2-1-3-5-17/h1-9,12-13,21H,10-11,14-15H2,(H,25,26)/t21-/m1/s1
InChIKeyTVUMZAYTKKSFRM-OAQYLSRUSA-N
XLogP5.71
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.34
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine?
The IUPAC name of N-(3,4-dichlorophenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine (CID 24955168) is N-(3,4-dichlorophenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine?
The canonical SMILES for N-(3,4-dichlorophenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine is Clc1ccc(Nc2ccc(CN3CCO[C@@H](c4ccccc4)C3)cn2)cc1Cl.
What is the InChIKey of N-(3,4-dichlorophenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine?
The InChIKey is TVUMZAYTKKSFRM-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H21Cl2N3O/c23-19-8-7-18(12-20(19)24)26-22-9-6-16(13-25-22)14-27-10-11-28-21(15-27)17-4-2-1-3-5-17/h1-9,12-13,21H,10-11,14-15H2,(H,25,26)/t21-/m1/s1.
What are the key properties of N-(3,4-dichlorophenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine?
N-(3,4-dichlorophenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine has a molecular weight of 414.34 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 24955168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).