3-(4-chloro-2,5-dimethylphenyl)morpholine

C12H16ClNO — CID 84790642

IUPAC3-(4-chloro-2,5-dimethylphenyl)morpholine
SMILESCc1cc(C2COCCN2)c(C)cc1Cl
InChIInChI=1S/C12H16ClNO/c1-8-6-11(13)9(2)5-10(8)12-7-15-4-3-14-12/h5-6,12,14H,3-4,7H2,1-2H3
InChIKeyDIFSWOFGSAYZKV-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.62
Rot. Bonds1

About 3-(4-chloro-2,5-dimethylphenyl)morpholine

3-(4-chloro-2,5-dimethylphenyl)morpholine (PubChem CID 84790642) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 3-(4-chloro-2,5-dimethylphenyl)morpholine.

Molecular Properties

Compound Name3-(4-chloro-2,5-dimethylphenyl)morpholine
PubChem CID84790642
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name3-(4-chloro-2,5-dimethylphenyl)morpholine
SMILESCc1cc(C2COCCN2)c(C)cc1Cl
InChIInChI=1S/C12H16ClNO/c1-8-6-11(13)9(2)5-10(8)12-7-15-4-3-14-12/h5-6,12,14H,3-4,7H2,1-2H3
InChIKeyDIFSWOFGSAYZKV-UHFFFAOYSA-N
XLogP2.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-6-morpholin-3-ylbenzene-1,3-diol
CID 84780563
(3R)-3-(5-bromo-2-methylphenyl)morpholine
CID 130632472
4-chloro-2-methyl-6-[(3S)-morpholin-3-yl]phenol;hydrochloride
CID 171193448
3-(2,5-dichlorophenyl)morpholine
CID 126971180
(3R)-3-(6-fluoro-4-methyl-3-pyridinyl)morpholine
CID 55273525
(3S)-3-(2-methyl-5-propan-2-ylphenyl)morpholine
CID 96844502
(3R)-3-(6-chloro-1,3-benzodioxol-5-yl)morpholine
CID 171192921
(3S)-3-(2-chloro-6-methylphenyl)morpholine
CID 131168891
4-fluoro-2-methyl-6-[(3R)-morpholin-3-yl]phenol
CID 131254251
3,5-dimethyl-4-[(3R)-morpholin-3-yl]phenol
CID 131479210
5-chloro-2-morpholin-3-ylphenol
CID 82613253
3-(3-chloro-4-pyridinyl)morpholine
CID 55273452

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2,5-dimethylphenyl)morpholine?
The IUPAC name of 3-(4-chloro-2,5-dimethylphenyl)morpholine (CID 84790642) is 3-(4-chloro-2,5-dimethylphenyl)morpholine.
What is the SMILES notation for 3-(4-chloro-2,5-dimethylphenyl)morpholine?
The canonical SMILES for 3-(4-chloro-2,5-dimethylphenyl)morpholine is Cc1cc(C2COCCN2)c(C)cc1Cl.
What is the InChIKey of 3-(4-chloro-2,5-dimethylphenyl)morpholine?
The InChIKey is DIFSWOFGSAYZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-8-6-11(13)9(2)5-10(8)12-7-15-4-3-14-12/h5-6,12,14H,3-4,7H2,1-2H3.
What are the key properties of 3-(4-chloro-2,5-dimethylphenyl)morpholine?
3-(4-chloro-2,5-dimethylphenyl)morpholine has a molecular weight of 225.72 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2,5-dimethylphenyl)morpholine is sourced from PubChem (CID 84790642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).