2-chloro-N,N-diethyl-1-methoxypropan-1-amine;hydrochloride

C8H19Cl2NO — CID 24843964

IUPAC2-chloro-N,N-diethyl-1-methoxypropan-1-amine;hydrochloride
SMILESCCN(CC)C(OC)C(C)Cl.Cl
InChIInChI=1S/C8H18ClNO.ClH/c1-5-10(6-2)8(11-4)7(3)9;/h7-8H,5-6H2,1-4H3;1H
InChIKeyXJIDKBLZGLTPAG-UHFFFAOYSA-N
MW216.15 g/mol
LogP2.35
Rot. Bonds5

About 2-chloro-N,N-diethyl-1-methoxypropan-1-amine;hydrochloride

2-chloro-N,N-diethyl-1-methoxypropan-1-amine;hydrochloride (PubChem CID 24843964) has the molecular formula C8H19Cl2NO and a molecular weight of 216.15 g/mol. Its IUPAC name is 2-chloro-N,N-diethyl-1-methoxypropan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-chloro-N,N-diethyl-1-methoxypropan-1-amine;hydrochloride
PubChem CID24843964
Molecular FormulaC8H19Cl2NO
Molecular Weight216.15 g/mol
Exact Mass215.08
IUPAC Name2-chloro-N,N-diethyl-1-methoxypropan-1-amine;hydrochloride
SMILESCCN(CC)C(OC)C(C)Cl.Cl
InChIInChI=1S/C8H18ClNO.ClH/c1-5-10(6-2)8(11-4)7(3)9;/h7-8H,5-6H2,1-4H3;1H
InChIKeyXJIDKBLZGLTPAG-UHFFFAOYSA-N
XLogP2.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.15
LogP ≤ 52.35
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-diethyl-1-methoxypropan-1-amine;hydrochloride?
The IUPAC name of 2-chloro-N,N-diethyl-1-methoxypropan-1-amine;hydrochloride (CID 24843964) is 2-chloro-N,N-diethyl-1-methoxypropan-1-amine;hydrochloride.
What is the SMILES notation for 2-chloro-N,N-diethyl-1-methoxypropan-1-amine;hydrochloride?
The canonical SMILES for 2-chloro-N,N-diethyl-1-methoxypropan-1-amine;hydrochloride is CCN(CC)C(OC)C(C)Cl.Cl.
What is the InChIKey of 2-chloro-N,N-diethyl-1-methoxypropan-1-amine;hydrochloride?
The InChIKey is XJIDKBLZGLTPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClNO.ClH/c1-5-10(6-2)8(11-4)7(3)9;/h7-8H,5-6H2,1-4H3;1H.
What are the key properties of 2-chloro-N,N-diethyl-1-methoxypropan-1-amine;hydrochloride?
2-chloro-N,N-diethyl-1-methoxypropan-1-amine;hydrochloride has a molecular weight of 216.15 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-diethyl-1-methoxypropan-1-amine;hydrochloride is sourced from PubChem (CID 24843964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).