N-[2-(2-chloroethoxy)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine

C11H24ClNO — CID 63665040

IUPACN-[2-(2-chloroethoxy)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)CN(CCOCCCl)C(C)C
InChIInChI=1S/C11H24ClNO/c1-10(2)9-13(11(3)4)6-8-14-7-5-12/h10-11H,5-9H2,1-4H3
InChIKeyJZSJSKRXMOQIOP-UHFFFAOYSA-N
MW221.77 g/mol
LogP2.61
Rot. Bonds8

About N-[2-(2-chloroethoxy)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine

N-[2-(2-chloroethoxy)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine (PubChem CID 63665040) has the molecular formula C11H24ClNO and a molecular weight of 221.77 g/mol. Its IUPAC name is N-[2-(2-chloroethoxy)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(2-chloroethoxy)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine
PubChem CID63665040
Molecular FormulaC11H24ClNO
Molecular Weight221.77 g/mol
Exact Mass221.15
IUPAC NameN-[2-(2-chloroethoxy)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)CN(CCOCCCl)C(C)C
InChIInChI=1S/C11H24ClNO/c1-10(2)9-13(11(3)4)6-8-14-7-5-12/h10-11H,5-9H2,1-4H3
InChIKeyJZSJSKRXMOQIOP-UHFFFAOYSA-N
XLogP2.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.77
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(2-chloroethoxy)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethoxy)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of N-[2-(2-chloroethoxy)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine (CID 63665040) is N-[2-(2-chloroethoxy)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for N-[2-(2-chloroethoxy)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for N-[2-(2-chloroethoxy)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine is CC(C)CN(CCOCCCl)C(C)C.
What is the InChIKey of N-[2-(2-chloroethoxy)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine?
The InChIKey is JZSJSKRXMOQIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClNO/c1-10(2)9-13(11(3)4)6-8-14-7-5-12/h10-11H,5-9H2,1-4H3.
What are the key properties of N-[2-(2-chloroethoxy)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine?
N-[2-(2-chloroethoxy)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine has a molecular weight of 221.77 g/mol, XLogP of 2.61, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethoxy)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 63665040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).