6-(chloromethyl)-2,2-dimethyl-4-(3-methyl-2-pyridinyl)morpholine

C13H19ClN2O — CID 114780916

IUPAC6-(chloromethyl)-2,2-dimethyl-4-(3-methyl-2-pyridinyl)morpholine
SMILESCc1cccnc1N1CC(CCl)OC(C)(C)C1
InChIInChI=1S/C13H19ClN2O/c1-10-5-4-6-15-12(10)16-8-11(7-14)17-13(2,3)9-16/h4-6,11H,7-9H2,1-3H3
InChIKeyHGYYMJSTBJSNTR-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.61
Rot. Bonds2

About 6-(chloromethyl)-2,2-dimethyl-4-(3-methyl-2-pyridinyl)morpholine

6-(chloromethyl)-2,2-dimethyl-4-(3-methyl-2-pyridinyl)morpholine (PubChem CID 114780916) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 6-(chloromethyl)-2,2-dimethyl-4-(3-methyl-2-pyridinyl)morpholine.

Molecular Properties

Compound Name6-(chloromethyl)-2,2-dimethyl-4-(3-methyl-2-pyridinyl)morpholine
PubChem CID114780916
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name6-(chloromethyl)-2,2-dimethyl-4-(3-methyl-2-pyridinyl)morpholine
SMILESCc1cccnc1N1CC(CCl)OC(C)(C)C1
InChIInChI=1S/C13H19ClN2O/c1-10-5-4-6-15-12(10)16-8-11(7-14)17-13(2,3)9-16/h4-6,11H,7-9H2,1-3H3
InChIKeyHGYYMJSTBJSNTR-UHFFFAOYSA-N
XLogP2.61
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.61
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-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-3-carboxylic acid
CID 114777180
6-(bromomethyl)-4-(3-ethoxy-2-pyridinyl)-2,2-dimethylmorpholine
CID 114781073
[6,6-dimethyl-4-(3-methylsulfonyl-2-pyridinyl)morpholin-2-yl]methanol
CID 114779341
6-(chloromethyl)-2,2-dimethyl-4-pyrazin-2-ylmorpholine
CID 114780846
6-(chloromethyl)-2,2-dimethyl-4-(quinolin-8-ylmethyl)morpholine
CID 114780520
4-(5-tert-butyl-2-pyridinyl)-6-(chloromethyl)-2,2-dimethylmorpholine
CID 107875644
6-(chloromethyl)-2,2-dimethyl-4-(2-methylquinolin-4-yl)morpholine
CID 114780841
2-[[(2R)-4-(3-chloro-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 129484491
(6,6-dimethyl-4-pyrimidin-2-ylmorpholin-2-yl)methanamine
CID 114782260
6-(chloromethyl)-2,2-dimethyl-4-(1-phenyltetrazol-5-yl)morpholine
CID 114780826
4-(3-bromo-4-methyl-2-pyridinyl)-2,2,6-trimethylmorpholine
CID 106876961
3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyrazine-2-carbonitrile
CID 114776876

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-2,2-dimethyl-4-(3-methyl-2-pyridinyl)morpholine?
The IUPAC name of 6-(chloromethyl)-2,2-dimethyl-4-(3-methyl-2-pyridinyl)morpholine (CID 114780916) is 6-(chloromethyl)-2,2-dimethyl-4-(3-methyl-2-pyridinyl)morpholine.
What is the SMILES notation for 6-(chloromethyl)-2,2-dimethyl-4-(3-methyl-2-pyridinyl)morpholine?
The canonical SMILES for 6-(chloromethyl)-2,2-dimethyl-4-(3-methyl-2-pyridinyl)morpholine is Cc1cccnc1N1CC(CCl)OC(C)(C)C1.
What is the InChIKey of 6-(chloromethyl)-2,2-dimethyl-4-(3-methyl-2-pyridinyl)morpholine?
The InChIKey is HGYYMJSTBJSNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-10-5-4-6-15-12(10)16-8-11(7-14)17-13(2,3)9-16/h4-6,11H,7-9H2,1-3H3.
What are the key properties of 6-(chloromethyl)-2,2-dimethyl-4-(3-methyl-2-pyridinyl)morpholine?
6-(chloromethyl)-2,2-dimethyl-4-(3-methyl-2-pyridinyl)morpholine has a molecular weight of 254.76 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-2,2-dimethyl-4-(3-methyl-2-pyridinyl)morpholine is sourced from PubChem (CID 114780916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).