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

C22H22ClN3O — CID 24955167

IUPACN-(3-chlorophenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine
SMILESClc1cccc(Nc2ccc(CN3CCO[C@@H](c4ccccc4)C3)cn2)c1
InChIInChI=1S/C22H22ClN3O/c23-19-7-4-8-20(13-19)25-22-10-9-17(14-24-22)15-26-11-12-27-21(16-26)18-5-2-1-3-6-18/h1-10,13-14,21H,11-12,15-16H2,(H,24,25)/t21-/m1/s1
InChIKeyFAIVQHLLKCILCJ-OAQYLSRUSA-N
MW379.89 g/mol
LogP5.05
Rot. Bonds5

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

N-(3-chlorophenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine (PubChem CID 24955167) has the molecular formula C22H22ClN3O and a molecular weight of 379.89 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine
PubChem CID24955167
Molecular FormulaC22H22ClN3O
Molecular Weight379.89 g/mol
Exact Mass379.15
IUPAC NameN-(3-chlorophenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine
SMILESClc1cccc(Nc2ccc(CN3CCO[C@@H](c4ccccc4)C3)cn2)c1
InChIInChI=1S/C22H22ClN3O/c23-19-7-4-8-20(13-19)25-22-10-9-17(14-24-22)15-26-11-12-27-21(16-26)18-5-2-1-3-6-18/h1-10,13-14,21H,11-12,15-16H2,(H,24,25)/t21-/m1/s1
InChIKeyFAIVQHLLKCILCJ-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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Related Compounds

5-[[(2S)-2-phenylmorpholin-4-yl]methyl]-N-(4-phenylphenyl)pyridin-2-amine
CID 44573577
[4-[(2-phenylmorpholin-4-yl)methyl]phenyl]methanol
CID 110008119
4-[(1-ethylpyrazol-4-yl)methyl]-2-phenylmorpholine
CID 75438520
2-(3-chlorophenyl)-4-(thiophen-2-ylmethyl)morpholine
CID 68619203
4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-phenylmorpholine
CID 131900950
3-[[(2S)-2-(4-chlorophenyl)morpholin-4-yl]methyl]benzoic acid
CID 122034855
5-chloro-N-(3-chlorophenyl)pyridin-2-amine
CID 66217838
4-(4-benzylmorpholin-2-yl)-2-chlorophenol
CID 66654072
3-chloro-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzamide
CID 51866535
(2R)-2-(3-bromophenyl)-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]morpholine
CID 96542411
(2R)-2-(3-chlorophenyl)-4-[2-(1-ethylpyrazol-4-yl)ethyl]morpholine
CID 125142733
N-[4-[[2-(3-hydroxyphenyl)morpholin-4-yl]methyl]phenyl]acetamide
CID 154751593

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine?
The IUPAC name of N-(3-chlorophenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine (CID 24955167) is N-(3-chlorophenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine is Clc1cccc(Nc2ccc(CN3CCO[C@@H](c4ccccc4)C3)cn2)c1.
What is the InChIKey of N-(3-chlorophenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine?
The InChIKey is FAIVQHLLKCILCJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H22ClN3O/c23-19-7-4-8-20(13-19)25-22-10-9-17(14-24-22)15-26-11-12-27-21(16-26)18-5-2-1-3-6-18/h1-10,13-14,21H,11-12,15-16H2,(H,24,25)/t21-/m1/s1.
What are the key properties of N-(3-chlorophenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine?
N-(3-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-(3-chlorophenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 24955167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).