(2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(1-methylimidazol-2-yl)methyl]morpholine

C15H16Cl2FN3O — CID 95303821

IUPAC(2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(1-methylimidazol-2-yl)methyl]morpholine
SMILESCn1ccnc1CN1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1
InChIInChI=1S/C15H16Cl2FN3O/c1-20-3-2-19-15(20)9-21-4-5-22-14(8-21)10-6-13(18)12(17)7-11(10)16/h2-3,6-7,14H,4-5,8-9H2,1H3/t14-/m0/s1
InChIKeyHFTOHQKJJRJNFN-AWEZNQCLSA-N
MW344.22 g/mol
LogP3.44
Rot. Bonds3

About (2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(1-methylimidazol-2-yl)methyl]morpholine

(2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(1-methylimidazol-2-yl)methyl]morpholine (PubChem CID 95303821) has the molecular formula C15H16Cl2FN3O and a molecular weight of 344.22 g/mol. Its IUPAC name is (2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(1-methylimidazol-2-yl)methyl]morpholine.

Molecular Properties

Compound Name(2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(1-methylimidazol-2-yl)methyl]morpholine
PubChem CID95303821
Molecular FormulaC15H16Cl2FN3O
Molecular Weight344.22 g/mol
Exact Mass343.07
IUPAC Name(2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(1-methylimidazol-2-yl)methyl]morpholine
SMILESCn1ccnc1CN1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1
InChIInChI=1S/C15H16Cl2FN3O/c1-20-3-2-19-15(20)9-21-4-5-22-14(8-21)10-6-13(18)12(17)7-11(10)16/h2-3,6-7,14H,4-5,8-9H2,1H3/t14-/m0/s1
InChIKeyHFTOHQKJJRJNFN-AWEZNQCLSA-N
XLogP3.44
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3-oxazol-2-yl)methyl]morpholine
CID 124505775
(2S)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine
CID 95303237
2-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]ethanol;hydrochloride
CID 141261156
(2S)-2-[(2-chlorophenyl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine
CID 42511055
4-[(2R)-2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]butan-1-ol
CID 95339618
4-[(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine
CID 86775020
2-(2,4-dichloro-5-fluorophenyl)-4-pyridin-2-ylmorpholine
CID 133292461
2-[(5-chloro-2-pyridinyl)oxymethyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine
CID 3742287
(2R)-2-(3-chloro-4-fluorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine
CID 99816366
(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine
CID 95274014
1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-3-(4-propylphenoxy)propan-2-ol
CID 138959811
methyl 4-[(1-methylimidazol-2-yl)methyl]morpholine-2-carboxylate
CID 78926351

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(1-methylimidazol-2-yl)methyl]morpholine?
The IUPAC name of (2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(1-methylimidazol-2-yl)methyl]morpholine (CID 95303821) is (2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(1-methylimidazol-2-yl)methyl]morpholine.
What is the SMILES notation for (2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(1-methylimidazol-2-yl)methyl]morpholine?
The canonical SMILES for (2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(1-methylimidazol-2-yl)methyl]morpholine is Cn1ccnc1CN1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1.
What is the InChIKey of (2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(1-methylimidazol-2-yl)methyl]morpholine?
The InChIKey is HFTOHQKJJRJNFN-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H16Cl2FN3O/c1-20-3-2-19-15(20)9-21-4-5-22-14(8-21)10-6-13(18)12(17)7-11(10)16/h2-3,6-7,14H,4-5,8-9H2,1H3/t14-/m0/s1.
What are the key properties of (2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(1-methylimidazol-2-yl)methyl]morpholine?
(2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(1-methylimidazol-2-yl)methyl]morpholine has a molecular weight of 344.22 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(1-methylimidazol-2-yl)methyl]morpholine is sourced from PubChem (CID 95303821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).