4-chloro-3,5-dimethylmorpholine

C6H12ClNO — CID 14340350

IUPAC4-chloro-3,5-dimethylmorpholine
SMILESCC1COCC(C)N1Cl
InChIInChI=1S/C6H12ClNO/c1-5-3-9-4-6(2)8(5)7/h5-6H,3-4H2,1-2H3
InChIKeyNLAWBYUWYSXTSU-UHFFFAOYSA-N
MW149.62 g/mol
LogP1.25
Rot. Bonds

About 4-chloro-3,5-dimethylmorpholine

4-chloro-3,5-dimethylmorpholine (PubChem CID 14340350) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is 4-chloro-3,5-dimethylmorpholine.

Molecular Properties

Compound Name4-chloro-3,5-dimethylmorpholine
PubChem CID14340350
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name4-chloro-3,5-dimethylmorpholine
SMILESCC1COCC(C)N1Cl
InChIInChI=1S/C6H12ClNO/c1-5-3-9-4-6(2)8(5)7/h5-6H,3-4H2,1-2H3
InChIKeyNLAWBYUWYSXTSU-UHFFFAOYSA-N
XLogP1.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S,5S)-4-(2-chloroethyl)-3,5-dimethylmorpholine;hydrochloride
CID 69418164
(3S,5S)-4-[4-chloro-6-[(3S,5S)-3,5-dimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,5-dimethylmorpholine
CID 139505234
(2R,5S)-1,4-dichloro-2,5-dimethylpiperazine
CID 129411829
(3R)-3,4-dimethyloxolane;ethene
CID 145261700
(3R,4R)-4-(3,5-dimethylmorpholin-4-yl)pyrrolidin-3-ol;hydrochloride
CID 130652560
4-methyl-3-[(4-methyl-1,3-oxazolidin-3-yl)methyl]-1,3-oxazolidine
CID 118865764
1-[(3R,5S)-3,5-dimethylmorpholin-4-yl]propan-1-one
CID 118219644
(3S,4R)-3,4-dimethyloxolane;ethane;methanol
CID 166485181
1-(3,5-dimethylmorpholin-4-yl)but-2-yn-1-one
CID 131000804
5-(3,5-dimethylmorpholin-4-yl)pentan-1-ol
CID 111452494
3-(3,5-dimethylmorpholin-4-yl)propanoic acid
CID 130723186
3-ethyl-5-methyl-4-propan-2-ylmorpholine
CID 130177249

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3,5-dimethylmorpholine?
The IUPAC name of 4-chloro-3,5-dimethylmorpholine (CID 14340350) is 4-chloro-3,5-dimethylmorpholine.
What is the SMILES notation for 4-chloro-3,5-dimethylmorpholine?
The canonical SMILES for 4-chloro-3,5-dimethylmorpholine is CC1COCC(C)N1Cl.
What is the InChIKey of 4-chloro-3,5-dimethylmorpholine?
The InChIKey is NLAWBYUWYSXTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO/c1-5-3-9-4-6(2)8(5)7/h5-6H,3-4H2,1-2H3.
What are the key properties of 4-chloro-3,5-dimethylmorpholine?
4-chloro-3,5-dimethylmorpholine has a molecular weight of 149.62 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3,5-dimethylmorpholine is sourced from PubChem (CID 14340350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).