(2S)-2-(4-chlorophenyl)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]morpholine

C17H22ClN3O2 — CID 95550441

IUPAC(2S)-2-(4-chlorophenyl)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]morpholine
SMILESCOCCn1cncc1CN1CCO[C@@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H22ClN3O2/c1-22-8-7-21-13-19-10-16(21)11-20-6-9-23-17(12-20)14-2-4-15(18)5-3-14/h2-5,10,13,17H,6-9,11-12H2,1H3/t17-/m1/s1
InChIKeyORQIFZMLIURTSR-QGZVFWFLSA-N
MW335.84 g/mol
LogP2.76
Rot. Bonds6

About (2S)-2-(4-chlorophenyl)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]morpholine

(2S)-2-(4-chlorophenyl)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]morpholine (PubChem CID 95550441) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.84 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]morpholine
PubChem CID95550441
Molecular FormulaC17H22ClN3O2
Molecular Weight335.84 g/mol
Exact Mass335.14
IUPAC Name(2S)-2-(4-chlorophenyl)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]morpholine
SMILESCOCCn1cncc1CN1CCO[C@@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H22ClN3O2/c1-22-8-7-21-13-19-10-16(21)11-20-6-9-23-17(12-20)14-2-4-15(18)5-3-14/h2-5,10,13,17H,6-9,11-12H2,1H3/t17-/m1/s1
InChIKeyORQIFZMLIURTSR-QGZVFWFLSA-N
XLogP2.76
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dichlorophenyl)-4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]morpholine
CID 56879666
(2S)-2-(3,4-dichlorophenyl)-4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]morpholine
CID 95558937
(2S)-2-(4-chlorophenyl)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]morpholine
CID 95564082
5-[[3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-1-(2-methoxyethyl)imidazole
CID 91840373
5-[[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-1-(2-methoxyethyl)imidazole
CID 124753499
(2R)-2-(6-methoxynaphthalen-2-yl)-4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]morpholine
CID 95543076
[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone
CID 95211388
(3aR,6aS)-2-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 139599274
2-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methyl]morpholine
CID 77271449
2-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-9-oxa-2-azaspiro[5.5]undecane
CID 91833468
2-[4-(4-chlorophenoxy)phenyl]-4-ethylmorpholine
CID 142654768
5-[[2-(4-chlorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898548

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]morpholine?
The IUPAC name of (2S)-2-(4-chlorophenyl)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]morpholine (CID 95550441) is (2S)-2-(4-chlorophenyl)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]morpholine.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]morpholine?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]morpholine is COCCn1cncc1CN1CCO[C@@H](c2ccc(Cl)cc2)C1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]morpholine?
The InChIKey is ORQIFZMLIURTSR-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H22ClN3O2/c1-22-8-7-21-13-19-10-16(21)11-20-6-9-23-17(12-20)14-2-4-15(18)5-3-14/h2-5,10,13,17H,6-9,11-12H2,1H3/t17-/m1/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]morpholine?
(2S)-2-(4-chlorophenyl)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]morpholine has a molecular weight of 335.84 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]morpholine is sourced from PubChem (CID 95550441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).