1-[1-[2-(2-amino-2-chloroethoxy)ethoxy]propan-2-yloxy]propan-2-amine

C10H23ClN2O3 — CID 59972165

IUPAC1-[1-[2-(2-amino-2-chloroethoxy)ethoxy]propan-2-yloxy]propan-2-amine
SMILESCC(N)COC(C)COCCOCC(N)Cl
InChIInChI=1S/C10H23ClN2O3/c1-8(12)5-16-9(2)6-14-3-4-15-7-10(11)13/h8-10H,3-7,12-13H2,1-2H3
InChIKeyRSVXKNUNPJOJPM-UHFFFAOYSA-N
MW254.76 g/mol
LogP0.30
Rot. Bonds10

About 1-[1-[2-(2-amino-2-chloroethoxy)ethoxy]propan-2-yloxy]propan-2-amine

1-[1-[2-(2-amino-2-chloroethoxy)ethoxy]propan-2-yloxy]propan-2-amine (PubChem CID 59972165) has the molecular formula C10H23ClN2O3 and a molecular weight of 254.76 g/mol. Its IUPAC name is 1-[1-[2-(2-amino-2-chloroethoxy)ethoxy]propan-2-yloxy]propan-2-amine.

Molecular Properties

Compound Name1-[1-[2-(2-amino-2-chloroethoxy)ethoxy]propan-2-yloxy]propan-2-amine
PubChem CID59972165
Molecular FormulaC10H23ClN2O3
Molecular Weight254.76 g/mol
Exact Mass254.14
IUPAC Name1-[1-[2-(2-amino-2-chloroethoxy)ethoxy]propan-2-yloxy]propan-2-amine
SMILESCC(N)COC(C)COCCOCC(N)Cl
InChIInChI=1S/C10H23ClN2O3/c1-8(12)5-16-9(2)6-14-3-4-15-7-10(11)13/h8-10H,3-7,12-13H2,1-2H3
InChIKeyRSVXKNUNPJOJPM-UHFFFAOYSA-N
XLogP0.30
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-[(2R)-1-[(2R)-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-amine
CID 157049295
2-[2-[2-(2-aminopropoxy)propoxy]ethoxy]propan-1-amine
CID 58898571
1-[4-[2-(2-aminopropoxy)propoxy]butoxy]propan-2-amine;azane;methane;yttrium
CID 159274573
1-[2-[1-(2-aminopropoxy)propan-2-yloxy]ethoxy]propan-2-amine;methane;yttrium
CID 159748487
2-methyl-1-[1-[2-[2-(2-methylpropoxy)propoxy]ethoxy]propan-2-yloxy]propane
CID 58121620
1-(1-hexoxypropan-2-yloxy)propan-2-amine;O-methylhydroxylamine
CID 159032271
1-[2-[1-[2-[2-[1-(2-aminopropoxy)propan-2-yloxy]propoxy]propoxy]propan-2-yloxy]propoxy]propan-2-amine
CID 129028378
1-[2-(1-aminoethoxy)ethoxy]propan-2-amine
CID 153419048
2-[2-(2-aminopropoxy)propoxy]propan-1-amine
CID 14122882
(2S)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine
CID 106447202
2-butoxy-1-chloroethanamine
CID 174226155
2-[2-(2-aminopropoxy)propoxy]propan-1-amine;methane
CID 159510670

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-amino-2-chloroethoxy)ethoxy]propan-2-yloxy]propan-2-amine?
The IUPAC name of 1-[1-[2-(2-amino-2-chloroethoxy)ethoxy]propan-2-yloxy]propan-2-amine (CID 59972165) is 1-[1-[2-(2-amino-2-chloroethoxy)ethoxy]propan-2-yloxy]propan-2-amine.
What is the SMILES notation for 1-[1-[2-(2-amino-2-chloroethoxy)ethoxy]propan-2-yloxy]propan-2-amine?
The canonical SMILES for 1-[1-[2-(2-amino-2-chloroethoxy)ethoxy]propan-2-yloxy]propan-2-amine is CC(N)COC(C)COCCOCC(N)Cl.
What is the InChIKey of 1-[1-[2-(2-amino-2-chloroethoxy)ethoxy]propan-2-yloxy]propan-2-amine?
The InChIKey is RSVXKNUNPJOJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23ClN2O3/c1-8(12)5-16-9(2)6-14-3-4-15-7-10(11)13/h8-10H,3-7,12-13H2,1-2H3.
What are the key properties of 1-[1-[2-(2-amino-2-chloroethoxy)ethoxy]propan-2-yloxy]propan-2-amine?
1-[1-[2-(2-amino-2-chloroethoxy)ethoxy]propan-2-yloxy]propan-2-amine has a molecular weight of 254.76 g/mol, XLogP of 0.30, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-amino-2-chloroethoxy)ethoxy]propan-2-yloxy]propan-2-amine is sourced from PubChem (CID 59972165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).