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

C8H18ClNO — CID 24843965

IUPAC2-chloro-N,N-diethyl-1-methoxypropan-1-amine
SMILESCCN(CC)C(OC)C(C)Cl
InChIInChI=1S/C8H18ClNO/c1-5-10(6-2)8(11-4)7(3)9/h7-8H,5-6H2,1-4H3
InChIKeyCFZSXJFWTFFCDP-UHFFFAOYSA-N
MW179.69 g/mol
LogP1.93
Rot. Bonds5

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

2-chloro-N,N-diethyl-1-methoxypropan-1-amine (PubChem CID 24843965) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is 2-chloro-N,N-diethyl-1-methoxypropan-1-amine.

Molecular Properties

Compound Name2-chloro-N,N-diethyl-1-methoxypropan-1-amine
PubChem CID24843965
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Name2-chloro-N,N-diethyl-1-methoxypropan-1-amine
SMILESCCN(CC)C(OC)C(C)Cl
InChIInChI=1S/C8H18ClNO/c1-5-10(6-2)8(11-4)7(3)9/h7-8H,5-6H2,1-4H3
InChIKeyCFZSXJFWTFFCDP-UHFFFAOYSA-N
XLogP1.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 51.93
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?
The IUPAC name of 2-chloro-N,N-diethyl-1-methoxypropan-1-amine (CID 24843965) is 2-chloro-N,N-diethyl-1-methoxypropan-1-amine.
What is the SMILES notation for 2-chloro-N,N-diethyl-1-methoxypropan-1-amine?
The canonical SMILES for 2-chloro-N,N-diethyl-1-methoxypropan-1-amine is CCN(CC)C(OC)C(C)Cl.
What is the InChIKey of 2-chloro-N,N-diethyl-1-methoxypropan-1-amine?
The InChIKey is CFZSXJFWTFFCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClNO/c1-5-10(6-2)8(11-4)7(3)9/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-chloro-N,N-diethyl-1-methoxypropan-1-amine?
2-chloro-N,N-diethyl-1-methoxypropan-1-amine has a molecular weight of 179.69 g/mol, XLogP of 1.93, 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 is sourced from PubChem (CID 24843965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).