2-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]morpholine

C14H19ClN2O2 — CID 117454632

IUPAC2-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]morpholine
SMILESCN1CC(Oc2ccc(C3CNCCO3)cc2Cl)C1
InChIInChI=1S/C14H19ClN2O2/c1-17-8-11(9-17)19-13-3-2-10(6-12(13)15)14-7-16-4-5-18-14/h2-3,6,11,14,16H,4-5,7-9H2,1H3
InChIKeyLJMFCWVNXQUFSQ-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.69
Rot. Bonds3

About 2-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]morpholine

2-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]morpholine (PubChem CID 117454632) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]morpholine.

Molecular Properties

Compound Name2-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]morpholine
PubChem CID117454632
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]morpholine
SMILESCN1CC(Oc2ccc(C3CNCCO3)cc2Cl)C1
InChIInChI=1S/C14H19ClN2O2/c1-17-8-11(9-17)19-13-3-2-10(6-12(13)15)14-7-16-4-5-18-14/h2-3,6,11,14,16H,4-5,7-9H2,1H3
InChIKeyLJMFCWVNXQUFSQ-UHFFFAOYSA-N
XLogP1.69
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]morpholine
CID 117478225
2-(3-chloro-4-ethoxyphenyl)morpholine
CID 82293187
2-(4-bromo-3-chlorophenyl)morpholine
CID 83745004
2-(3-chloro-1-methylindol-5-yl)morpholine
CID 117380161
2-(3-chloro-4-propan-2-ylsulfanylphenyl)morpholine
CID 117432500
2-[4-methoxy-3-(methoxymethyl)phenyl]morpholine
CID 117346859
(2S)-2-[3-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]morpholine
CID 124564123
2-(3-chloro-4-methoxy-5-propan-2-ylphenyl)morpholine
CID 117427563
2-(3,4-dimethylphenyl)morpholine
CID 43169342
2-(3-chloro-1-methylindazol-5-yl)morpholine
CID 117382717
(2R)-2-(4-chlorophenyl)morpholine;hydrochloride
CID 119056973
3-(2-chloro-4-pyrrolidin-2-ylphenoxy)-1-methylpyrrolidine
CID 117450926

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]morpholine?
The IUPAC name of 2-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]morpholine (CID 117454632) is 2-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]morpholine.
What is the SMILES notation for 2-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]morpholine?
The canonical SMILES for 2-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]morpholine is CN1CC(Oc2ccc(C3CNCCO3)cc2Cl)C1.
What is the InChIKey of 2-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]morpholine?
The InChIKey is LJMFCWVNXQUFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-17-8-11(9-17)19-13-3-2-10(6-12(13)15)14-7-16-4-5-18-14/h2-3,6,11,14,16H,4-5,7-9H2,1H3.
What are the key properties of 2-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]morpholine?
2-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]morpholine has a molecular weight of 282.77 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]morpholine is sourced from PubChem (CID 117454632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).