3-(4-chlorophenyl)-5-methylmorpholine

C11H14ClNO — CID 57226628

IUPAC3-(4-chlorophenyl)-5-methylmorpholine
SMILESCC1COCC(c2ccc(Cl)cc2)N1
InChIInChI=1S/C11H14ClNO/c1-8-6-14-7-11(13-8)9-2-4-10(12)5-3-9/h2-5,8,11,13H,6-7H2,1H3
InChIKeyWYRSZTNBJIGMQH-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.39
Rot. Bonds1

About 3-(4-chlorophenyl)-5-methylmorpholine

3-(4-chlorophenyl)-5-methylmorpholine (PubChem CID 57226628) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-methylmorpholine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-methylmorpholine
PubChem CID57226628
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name3-(4-chlorophenyl)-5-methylmorpholine
SMILESCC1COCC(c2ccc(Cl)cc2)N1
InChIInChI=1S/C11H14ClNO/c1-8-6-14-7-11(13-8)9-2-4-10(12)5-3-9/h2-5,8,11,13H,6-7H2,1H3
InChIKeyWYRSZTNBJIGMQH-UHFFFAOYSA-N
XLogP2.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,5R)-3-(4-fluorophenyl)-5-methylmorpholine
CID 95437543
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylmorpholine
CID 82291102
2-(4-chlorophenyl)-3,5-dimethylmorpholine
CID 43367104
(3R,5R)-3-(2-chloro-6-phenyl-4-pyridinyl)-5-methylmorpholine
CID 171499175
3-(4-chlorophenyl)oxetane
CID 130113875
1-(4-chlorophenyl)-2-(5-methylmorpholin-3-yl)ethanone
CID 116685146
3,5-dimethylmorpholine
CID 8862
2,6-bis(4-chlorophenyl)-3-methylpiperidin-4-ol
CID 4518766
(3S,5R)-3,5-dimethylmorpholine;hydrochloride
CID 20818712
[(1S)-1-[(3R,5R)-5-(4-chlorophenyl)morpholin-3-yl]ethyl] 4-nitrobenzoate
CID 67371753
4-[[2,6-bis(4-chlorophenyl)piperidin-4-yl]disulfanyl]-2,6-bis(4-chlorophenyl)piperidine
CID 597030
2-methyl-4-(4-phenylphenyl)azetidine
CID 116821976

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-methylmorpholine?
The IUPAC name of 3-(4-chlorophenyl)-5-methylmorpholine (CID 57226628) is 3-(4-chlorophenyl)-5-methylmorpholine.
What is the SMILES notation for 3-(4-chlorophenyl)-5-methylmorpholine?
The canonical SMILES for 3-(4-chlorophenyl)-5-methylmorpholine is CC1COCC(c2ccc(Cl)cc2)N1.
What is the InChIKey of 3-(4-chlorophenyl)-5-methylmorpholine?
The InChIKey is WYRSZTNBJIGMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-8-6-14-7-11(13-8)9-2-4-10(12)5-3-9/h2-5,8,11,13H,6-7H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-5-methylmorpholine?
3-(4-chlorophenyl)-5-methylmorpholine has a molecular weight of 211.69 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-methylmorpholine is sourced from PubChem (CID 57226628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).