3-chloro-N-[3-(2-methoxyethoxy)propyl]-2-methylbutan-2-amine

C11H24ClNO2 — CID 103413183

IUPAC3-chloro-N-[3-(2-methoxyethoxy)propyl]-2-methylbutan-2-amine
SMILESCOCCOCCCNC(C)(C)C(C)Cl
InChIInChI=1S/C11H24ClNO2/c1-10(12)11(2,3)13-6-5-7-15-9-8-14-4/h10,13H,5-9H2,1-4H3
InChIKeyYTRSVFPYCNCENG-UHFFFAOYSA-N
MW237.77 g/mol
LogP2.04
Rot. Bonds9

About 3-chloro-N-[3-(2-methoxyethoxy)propyl]-2-methylbutan-2-amine

3-chloro-N-[3-(2-methoxyethoxy)propyl]-2-methylbutan-2-amine (PubChem CID 103413183) has the molecular formula C11H24ClNO2 and a molecular weight of 237.77 g/mol. Its IUPAC name is 3-chloro-N-[3-(2-methoxyethoxy)propyl]-2-methylbutan-2-amine.

Molecular Properties

Compound Name3-chloro-N-[3-(2-methoxyethoxy)propyl]-2-methylbutan-2-amine
PubChem CID103413183
Molecular FormulaC11H24ClNO2
Molecular Weight237.77 g/mol
Exact Mass237.15
IUPAC Name3-chloro-N-[3-(2-methoxyethoxy)propyl]-2-methylbutan-2-amine
SMILESCOCCOCCCNC(C)(C)C(C)Cl
InChIInChI=1S/C11H24ClNO2/c1-10(12)11(2,3)13-6-5-7-15-9-8-14-4/h10,13H,5-9H2,1-4H3
InChIKeyYTRSVFPYCNCENG-UHFFFAOYSA-N
XLogP2.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[3-(2-methoxyethoxy)propyl]-2-methylpropan-2-amine
CID 62455424
N-[3-[3-(2-methoxyethoxy)propoxy]propyl]-2-methylpropan-2-amine
CID 103401793
N-tert-butyl-4-[3-(2-methoxyethoxy)propoxy]butan-1-amine
CID 103406524
2-[3-(2-methoxyethoxy)propylamino]-2-methylpropanoic acid
CID 103410896
4-methoxy-N-[3-(2-methoxyethoxy)propyl]-4-methylpentan-2-amine
CID 43147222
N-[3-[2-(2-methoxyethoxy)ethoxy]propyl]-2-methylpropan-1-amine
CID 104560835
methyl 2-chloro-3-[3-(2-methoxyethoxy)propylamino]propanoate
CID 103491945
methyl 2-[3-(2-methoxyethoxy)propylamino]propanoate
CID 66173501
N-tert-butyl-4-(4-methoxybutoxy)butan-1-amine
CID 138672241
3-chloro-N-[3-(2-methoxyethoxy)propyl]-2-methylpropan-1-amine
CID 103413068
4-[3-[2-(2-methoxyethoxy)ethoxy]propylamino]-4-(3-sulfanylpropyl)heptane-1,7-dithiol
CID 91292873
2-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-4,4-dimethylpentanamide
CID 107471842

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(2-methoxyethoxy)propyl]-2-methylbutan-2-amine?
The IUPAC name of 3-chloro-N-[3-(2-methoxyethoxy)propyl]-2-methylbutan-2-amine (CID 103413183) is 3-chloro-N-[3-(2-methoxyethoxy)propyl]-2-methylbutan-2-amine.
What is the SMILES notation for 3-chloro-N-[3-(2-methoxyethoxy)propyl]-2-methylbutan-2-amine?
The canonical SMILES for 3-chloro-N-[3-(2-methoxyethoxy)propyl]-2-methylbutan-2-amine is COCCOCCCNC(C)(C)C(C)Cl.
What is the InChIKey of 3-chloro-N-[3-(2-methoxyethoxy)propyl]-2-methylbutan-2-amine?
The InChIKey is YTRSVFPYCNCENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClNO2/c1-10(12)11(2,3)13-6-5-7-15-9-8-14-4/h10,13H,5-9H2,1-4H3.
What are the key properties of 3-chloro-N-[3-(2-methoxyethoxy)propyl]-2-methylbutan-2-amine?
3-chloro-N-[3-(2-methoxyethoxy)propyl]-2-methylbutan-2-amine has a molecular weight of 237.77 g/mol, XLogP of 2.04, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(2-methoxyethoxy)propyl]-2-methylbutan-2-amine is sourced from PubChem (CID 103413183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).