1-(chloromethoxy)-N,N-dimethylethanamine

C5H12ClNO — CID 59015298

IUPAC1-(chloromethoxy)-N,N-dimethylethanamine
SMILESCC(OCCl)N(C)C
InChIInChI=1S/C5H12ClNO/c1-5(7(2)3)8-4-6/h5H,4H2,1-3H3
InChIKeyBOSOVSNKAUTNBK-UHFFFAOYSA-N
MW137.61 g/mol
LogP1.11
Rot. Bonds3

About 1-(chloromethoxy)-N,N-dimethylethanamine

1-(chloromethoxy)-N,N-dimethylethanamine (PubChem CID 59015298) has the molecular formula C5H12ClNO and a molecular weight of 137.61 g/mol. Its IUPAC name is 1-(chloromethoxy)-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-(chloromethoxy)-N,N-dimethylethanamine
PubChem CID59015298
Molecular FormulaC5H12ClNO
Molecular Weight137.61 g/mol
Exact Mass137.06
IUPAC Name1-(chloromethoxy)-N,N-dimethylethanamine
SMILESCC(OCCl)N(C)C
InChIInChI=1S/C5H12ClNO/c1-5(7(2)3)8-4-6/h5H,4H2,1-3H3
InChIKeyBOSOVSNKAUTNBK-UHFFFAOYSA-N
XLogP1.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.61
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-methoxy-N,N-dimethylethanamine
CID 89341126
2-(chloromethoxy)-1,1,1-trifluoropropane
CID 55303779
2-(chloromethoxy)-1-methoxypropane
CID 79529090
1-[bis[1-(dimethylamino)ethoxy]silyloxy]-N,N-dimethylethanamine
CID 173378568
N,N-dimethyl-1-(2-morpholin-4-ylethoxy)ethanamine
CID 123734761
1-[1-(dimethylamino)ethoxy]ethanol
CID 20544002
4-(chloromethoxy)-3-methylpent-1-yne
CID 55301342
2-chloro-1-N,1-N,1-N',1-N'-tetramethylethane-1,1-diamine
CID 157189725
N,N-dimethyl-1,3-di(propan-2-yloxy)propan-2-amine
CID 176738241
1-(dimethylamino)ethyl 2-hydroxyacetate
CID 154486667
1-[diethoxy(methyl)silyl]oxy-N,N-dimethylethanamine
CID 140913993
1-(chloromethoxy)ethylbenzene
CID 13140582

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethoxy)-N,N-dimethylethanamine?
The IUPAC name of 1-(chloromethoxy)-N,N-dimethylethanamine (CID 59015298) is 1-(chloromethoxy)-N,N-dimethylethanamine.
What is the SMILES notation for 1-(chloromethoxy)-N,N-dimethylethanamine?
The canonical SMILES for 1-(chloromethoxy)-N,N-dimethylethanamine is CC(OCCl)N(C)C.
What is the InChIKey of 1-(chloromethoxy)-N,N-dimethylethanamine?
The InChIKey is BOSOVSNKAUTNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClNO/c1-5(7(2)3)8-4-6/h5H,4H2,1-3H3.
What are the key properties of 1-(chloromethoxy)-N,N-dimethylethanamine?
1-(chloromethoxy)-N,N-dimethylethanamine has a molecular weight of 137.61 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethoxy)-N,N-dimethylethanamine is sourced from PubChem (CID 59015298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).