2-(chloromethyl)-4-[2-(1-methylimidazol-2-yl)ethyl]morpholine

C11H18ClN3O — CID 114531807

IUPAC2-(chloromethyl)-4-[2-(1-methylimidazol-2-yl)ethyl]morpholine
SMILESCn1ccnc1CCN1CCOC(CCl)C1
InChIInChI=1S/C11H18ClN3O/c1-14-5-3-13-11(14)2-4-15-6-7-16-10(8-12)9-15/h3,5,10H,2,4,6-9H2,1H3
InChIKeyLUVAQNTXSAWJTR-UHFFFAOYSA-N
MW243.74 g/mol
LogP0.90
Rot. Bonds4

About 2-(chloromethyl)-4-[2-(1-methylimidazol-2-yl)ethyl]morpholine

2-(chloromethyl)-4-[2-(1-methylimidazol-2-yl)ethyl]morpholine (PubChem CID 114531807) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 2-(chloromethyl)-4-[2-(1-methylimidazol-2-yl)ethyl]morpholine.

Molecular Properties

Compound Name2-(chloromethyl)-4-[2-(1-methylimidazol-2-yl)ethyl]morpholine
PubChem CID114531807
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name2-(chloromethyl)-4-[2-(1-methylimidazol-2-yl)ethyl]morpholine
SMILESCn1ccnc1CCN1CCOC(CCl)C1
InChIInChI=1S/C11H18ClN3O/c1-14-5-3-13-11(14)2-4-15-6-7-16-10(8-12)9-15/h3,5,10H,2,4,6-9H2,1H3
InChIKeyLUVAQNTXSAWJTR-UHFFFAOYSA-N
XLogP0.90
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-4-(1-methylimidazol-2-yl)morpholine
CID 81209522
4-(chloromethyl)-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine
CID 114531735
2-(chloromethyl)-4-[2-(1-methylpyrazol-4-yl)ethyl]morpholine
CID 103015288
3-[2-(chloromethyl)morpholin-4-yl]-1-methylpyrazin-2-one
CID 81210787
N-methyl-3-(1-methylimidazol-2-yl)-1-(4-propylmorpholin-2-yl)propan-1-amine
CID 114530511
2-[(5-chloro-2-pyridinyl)oxymethyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine
CID 3742287
(2S)-2-[(2-chlorophenyl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine
CID 42511055
4-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-3-ol
CID 102959658
4-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 75369872
(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine
CID 95274014
2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine
CID 71878566
1-methyl-2-[2-(oxiran-2-yl)ethyl]imidazole
CID 115410560

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-[2-(1-methylimidazol-2-yl)ethyl]morpholine?
The IUPAC name of 2-(chloromethyl)-4-[2-(1-methylimidazol-2-yl)ethyl]morpholine (CID 114531807) is 2-(chloromethyl)-4-[2-(1-methylimidazol-2-yl)ethyl]morpholine.
What is the SMILES notation for 2-(chloromethyl)-4-[2-(1-methylimidazol-2-yl)ethyl]morpholine?
The canonical SMILES for 2-(chloromethyl)-4-[2-(1-methylimidazol-2-yl)ethyl]morpholine is Cn1ccnc1CCN1CCOC(CCl)C1.
What is the InChIKey of 2-(chloromethyl)-4-[2-(1-methylimidazol-2-yl)ethyl]morpholine?
The InChIKey is LUVAQNTXSAWJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-14-5-3-13-11(14)2-4-15-6-7-16-10(8-12)9-15/h3,5,10H,2,4,6-9H2,1H3.
What are the key properties of 2-(chloromethyl)-4-[2-(1-methylimidazol-2-yl)ethyl]morpholine?
2-(chloromethyl)-4-[2-(1-methylimidazol-2-yl)ethyl]morpholine has a molecular weight of 243.74 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-[2-(1-methylimidazol-2-yl)ethyl]morpholine is sourced from PubChem (CID 114531807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).