2-[2-(chloromethyl)-6-methylmorpholin-4-yl]-N,N-diethylethanamine

C12H25ClN2O — CID 107914043

IUPAC2-[2-(chloromethyl)-6-methylmorpholin-4-yl]-N,N-diethylethanamine
SMILESCCN(CC)CCN1CC(C)OC(CCl)C1
InChIInChI=1S/C12H25ClN2O/c1-4-14(5-2)6-7-15-9-11(3)16-12(8-13)10-15/h11-12H,4-10H2,1-3H3
InChIKeyNJWVSQORIFCOHF-UHFFFAOYSA-N
MW248.80 g/mol
LogP1.66
Rot. Bonds6

About 2-[2-(chloromethyl)-6-methylmorpholin-4-yl]-N,N-diethylethanamine

2-[2-(chloromethyl)-6-methylmorpholin-4-yl]-N,N-diethylethanamine (PubChem CID 107914043) has the molecular formula C12H25ClN2O and a molecular weight of 248.80 g/mol. Its IUPAC name is 2-[2-(chloromethyl)-6-methylmorpholin-4-yl]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[2-(chloromethyl)-6-methylmorpholin-4-yl]-N,N-diethylethanamine
PubChem CID107914043
Molecular FormulaC12H25ClN2O
Molecular Weight248.80 g/mol
Exact Mass248.17
IUPAC Name2-[2-(chloromethyl)-6-methylmorpholin-4-yl]-N,N-diethylethanamine
SMILESCCN(CC)CCN1CC(C)OC(CCl)C1
InChIInChI=1S/C12H25ClN2O/c1-4-14(5-2)6-7-15-9-11(3)16-12(8-13)10-15/h11-12H,4-10H2,1-3H3
InChIKeyNJWVSQORIFCOHF-UHFFFAOYSA-N
XLogP1.66
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.80
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(bromomethyl)-6-methylmorpholin-4-yl]-N,N-diethylethanamine
CID 107914046
2-(chloromethyl)-6-methyl-4-(3-methylbutyl)morpholine
CID 102936623
2-(chloromethyl)-4-(3,3-dimethylbutyl)-6-methylmorpholine
CID 102936701
2-(chloromethyl)-6-methyl-4-(4-methylpentyl)morpholine
CID 102936587
2-(chloromethyl)-6-methyl-4-(2-propan-2-yloxyethyl)morpholine
CID 102936700
2-(chloromethyl)-4-(4-methoxybutyl)-6-methylmorpholine
CID 102936556
2-(chloromethyl)-6-methyl-4-[3-(oxolan-2-yl)propyl]morpholine
CID 102936612
2-(bromomethyl)-4-butyl-6-methylmorpholine
CID 102936811
(2R,6S)-4-(2-chloroethyl)-2,6-dimethylmorpholine
CID 53215608
2-(chloromethyl)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine
CID 102936721
2-[(2S,6R)-2-ethyl-6-methylmorpholin-4-yl]ethanol
CID 125154641
4-[(4-bromophenyl)methyl]-2-(chloromethyl)-6-methylmorpholine
CID 102936655

Frequently Asked Questions

What is the IUPAC name of 2-[2-(chloromethyl)-6-methylmorpholin-4-yl]-N,N-diethylethanamine?
The IUPAC name of 2-[2-(chloromethyl)-6-methylmorpholin-4-yl]-N,N-diethylethanamine (CID 107914043) is 2-[2-(chloromethyl)-6-methylmorpholin-4-yl]-N,N-diethylethanamine.
What is the SMILES notation for 2-[2-(chloromethyl)-6-methylmorpholin-4-yl]-N,N-diethylethanamine?
The canonical SMILES for 2-[2-(chloromethyl)-6-methylmorpholin-4-yl]-N,N-diethylethanamine is CCN(CC)CCN1CC(C)OC(CCl)C1.
What is the InChIKey of 2-[2-(chloromethyl)-6-methylmorpholin-4-yl]-N,N-diethylethanamine?
The InChIKey is NJWVSQORIFCOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25ClN2O/c1-4-14(5-2)6-7-15-9-11(3)16-12(8-13)10-15/h11-12H,4-10H2,1-3H3.
What are the key properties of 2-[2-(chloromethyl)-6-methylmorpholin-4-yl]-N,N-diethylethanamine?
2-[2-(chloromethyl)-6-methylmorpholin-4-yl]-N,N-diethylethanamine has a molecular weight of 248.80 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(chloromethyl)-6-methylmorpholin-4-yl]-N,N-diethylethanamine is sourced from PubChem (CID 107914043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).