[(2R,5S)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(6-methyl-3-pyridinyl)methanone

C18H19ClN2O2 — CID 96511165

IUPAC[(2R,5S)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2C[C@@H](c3ccccc3Cl)OC[C@@H]2C)cn1
InChIInChI=1S/C18H19ClN2O2/c1-12-7-8-14(9-20-12)18(22)21-10-17(23-11-13(21)2)15-5-3-4-6-16(15)19/h3-9,13,17H,10-11H2,1-2H3/t13-,17-/m0/s1
InChIKeyNTYDRKBUGCXNIX-GUYCJALGSA-N
MW330.82 g/mol
LogP3.65
Rot. Bonds2

About [(2R,5S)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(6-methyl-3-pyridinyl)methanone

[(2R,5S)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(6-methyl-3-pyridinyl)methanone (PubChem CID 96511165) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is [(2R,5S)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(2R,5S)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(6-methyl-3-pyridinyl)methanone
PubChem CID96511165
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name[(2R,5S)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2C[C@@H](c3ccccc3Cl)OC[C@@H]2C)cn1
InChIInChI=1S/C18H19ClN2O2/c1-12-7-8-14(9-20-12)18(22)21-10-17(23-11-13(21)2)15-5-3-4-6-16(15)19/h3-9,13,17H,10-11H2,1-2H3/t13-,17-/m0/s1
InChIKeyNTYDRKBUGCXNIX-GUYCJALGSA-N
XLogP3.65
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carboxamide
CID 146049310
(3-aminophenyl)-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]methanone;hydrochloride
CID 119784353
4-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carbonyl]-1H-pyridin-2-one
CID 124568472
(2S)-2-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propan-1-one
CID 154740422
(5-amino-2-methylphenyl)-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]methanone;hydrochloride
CID 120632693
5-[(2S,5S)-5-methyl-2-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid
CID 124696561
1-[(2S,5S)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-(methylamino)ethanone
CID 124686478
(3-chloro-4-pyridinyl)-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]methanone
CID 124504814
4-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]butan-1-one
CID 119324084
[(2R,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(4-methyloxan-4-yl)methanone
CID 95620407
[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(4-methyloxan-4-yl)methanone
CID 56786709
4-[[[2-(2-chlorophenyl)-5-methylmorpholine-4-carbonyl]amino]methyl]benzoic acid
CID 122021175

Frequently Asked Questions

What is the IUPAC name of [(2R,5S)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of [(2R,5S)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(6-methyl-3-pyridinyl)methanone (CID 96511165) is [(2R,5S)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [(2R,5S)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for [(2R,5S)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(6-methyl-3-pyridinyl)methanone is Cc1ccc(C(=O)N2C[C@@H](c3ccccc3Cl)OC[C@@H]2C)cn1.
What is the InChIKey of [(2R,5S)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(6-methyl-3-pyridinyl)methanone?
The InChIKey is NTYDRKBUGCXNIX-GUYCJALGSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-12-7-8-14(9-20-12)18(22)21-10-17(23-11-13(21)2)15-5-3-4-6-16(15)19/h3-9,13,17H,10-11H2,1-2H3/t13-,17-/m0/s1.
What are the key properties of [(2R,5S)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(6-methyl-3-pyridinyl)methanone?
[(2R,5S)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(6-methyl-3-pyridinyl)methanone has a molecular weight of 330.82 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5S)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 96511165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).