2-(3-chlorophenyl)-5-methyl-4-[2-(1-methyltriazol-4-yl)ethyl]morpholine

C16H21ClN4O — CID 167753282

IUPAC2-(3-chlorophenyl)-5-methyl-4-[2-(1-methyltriazol-4-yl)ethyl]morpholine
SMILESCC1COC(c2cccc(Cl)c2)CN1CCc1cn(C)nn1
InChIInChI=1S/C16H21ClN4O/c1-12-11-22-16(13-4-3-5-14(17)8-13)10-21(12)7-6-15-9-20(2)19-18-15/h3-5,8-9,12,16H,6-7,10-11H2,1-2H3
InChIKeyFOQMGGANXHIGHG-UHFFFAOYSA-N
MW320.82 g/mol
LogP2.47
Rot. Bonds4

About 2-(3-chlorophenyl)-5-methyl-4-[2-(1-methyltriazol-4-yl)ethyl]morpholine

2-(3-chlorophenyl)-5-methyl-4-[2-(1-methyltriazol-4-yl)ethyl]morpholine (PubChem CID 167753282) has the molecular formula C16H21ClN4O and a molecular weight of 320.82 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-methyl-4-[2-(1-methyltriazol-4-yl)ethyl]morpholine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-methyl-4-[2-(1-methyltriazol-4-yl)ethyl]morpholine
PubChem CID167753282
Molecular FormulaC16H21ClN4O
Molecular Weight320.82 g/mol
Exact Mass320.14
IUPAC Name2-(3-chlorophenyl)-5-methyl-4-[2-(1-methyltriazol-4-yl)ethyl]morpholine
SMILESCC1COC(c2cccc(Cl)c2)CN1CCc1cn(C)nn1
InChIInChI=1S/C16H21ClN4O/c1-12-11-22-16(13-4-3-5-14(17)8-13)10-21(12)7-6-15-9-20(2)19-18-15/h3-5,8-9,12,16H,6-7,10-11H2,1-2H3
InChIKeyFOQMGGANXHIGHG-UHFFFAOYSA-N
XLogP2.47
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,5S)-2-(3-chlorophenyl)-5-methyl-4-[(2-methylpyrazol-3-yl)methyl]morpholine
CID 99828049
(2R,5R)-2-(3-chlorophenyl)-5-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methyl]morpholine
CID 99828071
(2S,5S)-2-(3-chlorophenyl)-4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-methylmorpholine
CID 99828055
(2S)-1-[(2R,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-3-methoxypropan-2-ol
CID 124621379
2-[[(2R,5S)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]methyl]pyrimidin-4-amine
CID 124621384
(2S,5S)-2-(3-chlorophenyl)-5-methyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine
CID 125138246
2-(3-chlorophenyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methylmorpholine
CID 122147461
1-[(2S,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone
CID 124619662
(2R,5S)-2-(3-chlorophenyl)-N,N,5-trimethylmorpholine-4-sulfonamide
CID 99825537
(2R,5R)-2-(3-chlorophenyl)-N,N,5-trimethylmorpholine-4-sulfonamide
CID 99825536
2-(3-chlorophenyl)-5-methyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine
CID 133487015
1-[(2R,5S)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-pyridin-4-ylethanone
CID 124619075

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-methyl-4-[2-(1-methyltriazol-4-yl)ethyl]morpholine?
The IUPAC name of 2-(3-chlorophenyl)-5-methyl-4-[2-(1-methyltriazol-4-yl)ethyl]morpholine (CID 167753282) is 2-(3-chlorophenyl)-5-methyl-4-[2-(1-methyltriazol-4-yl)ethyl]morpholine.
What is the SMILES notation for 2-(3-chlorophenyl)-5-methyl-4-[2-(1-methyltriazol-4-yl)ethyl]morpholine?
The canonical SMILES for 2-(3-chlorophenyl)-5-methyl-4-[2-(1-methyltriazol-4-yl)ethyl]morpholine is CC1COC(c2cccc(Cl)c2)CN1CCc1cn(C)nn1.
What is the InChIKey of 2-(3-chlorophenyl)-5-methyl-4-[2-(1-methyltriazol-4-yl)ethyl]morpholine?
The InChIKey is FOQMGGANXHIGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O/c1-12-11-22-16(13-4-3-5-14(17)8-13)10-21(12)7-6-15-9-20(2)19-18-15/h3-5,8-9,12,16H,6-7,10-11H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-5-methyl-4-[2-(1-methyltriazol-4-yl)ethyl]morpholine?
2-(3-chlorophenyl)-5-methyl-4-[2-(1-methyltriazol-4-yl)ethyl]morpholine has a molecular weight of 320.82 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-methyl-4-[2-(1-methyltriazol-4-yl)ethyl]morpholine is sourced from PubChem (CID 167753282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).