2-(chloromethyl)-4-heptylmorpholine

C12H24ClNO — CID 81213546

IUPAC2-(chloromethyl)-4-heptylmorpholine
SMILESCCCCCCCN1CCOC(CCl)C1
InChIInChI=1S/C12H24ClNO/c1-2-3-4-5-6-7-14-8-9-15-12(10-13)11-14/h12H,2-11H2,1H3
InChIKeyJXVUJVFMGNXLOZ-UHFFFAOYSA-N
MW233.78 g/mol
LogP2.90
Rot. Bonds7

About 2-(chloromethyl)-4-heptylmorpholine

2-(chloromethyl)-4-heptylmorpholine (PubChem CID 81213546) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is 2-(chloromethyl)-4-heptylmorpholine.

Molecular Properties

Compound Name2-(chloromethyl)-4-heptylmorpholine
PubChem CID81213546
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC Name2-(chloromethyl)-4-heptylmorpholine
SMILESCCCCCCCN1CCOC(CCl)C1
InChIInChI=1S/C12H24ClNO/c1-2-3-4-5-6-7-14-8-9-15-12(10-13)11-14/h12H,2-11H2,1H3
InChIKeyJXVUJVFMGNXLOZ-UHFFFAOYSA-N
XLogP2.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.78
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(chloromethyl)-4-pentylmorpholine
CID 81213679
4-dodecyl-2-ethylmorpholine
CID 4616518
(2S)-2-butyl-4-decylmorpholine
CID 98152093
(4-dodecylmorpholin-2-yl)methanamine
CID 63486829
2-(chloromethyl)-4-(3-ethylsulfonylpropyl)morpholine
CID 81214049
3-[2-(chloromethyl)morpholin-4-yl]-N,N-dimethylpropan-1-amine
CID 114526695
2-(chloromethyl)-4-(2-ethylhexyl)morpholine
CID 81210479
2-benzyl-4-dodecylmorpholine
CID 70634633
2-(chloromethyl)-4-(2-methoxyethyl)morpholine
CID 71380067
azane;4-dodecyl-2-methylmorpholine;hydrobromide
CID 174921468
N-[(4-butylmorpholin-2-yl)methyl]-N-methylethanamine
CID 164557510
N,2-dimethyl-N-[(4-pentylmorpholin-2-yl)methyl]propanamide
CID 163400251

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-heptylmorpholine?
The IUPAC name of 2-(chloromethyl)-4-heptylmorpholine (CID 81213546) is 2-(chloromethyl)-4-heptylmorpholine.
What is the SMILES notation for 2-(chloromethyl)-4-heptylmorpholine?
The canonical SMILES for 2-(chloromethyl)-4-heptylmorpholine is CCCCCCCN1CCOC(CCl)C1.
What is the InChIKey of 2-(chloromethyl)-4-heptylmorpholine?
The InChIKey is JXVUJVFMGNXLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO/c1-2-3-4-5-6-7-14-8-9-15-12(10-13)11-14/h12H,2-11H2,1H3.
What are the key properties of 2-(chloromethyl)-4-heptylmorpholine?
2-(chloromethyl)-4-heptylmorpholine has a molecular weight of 233.78 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-heptylmorpholine is sourced from PubChem (CID 81213546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).