N-[2-(2-chloroethoxy)ethyl]butan-1-amine

C8H18ClNO — CID 65023784

IUPACN-[2-(2-chloroethoxy)ethyl]butan-1-amine
SMILESCCCCNCCOCCCl
InChIInChI=1S/C8H18ClNO/c1-2-3-5-10-6-8-11-7-4-9/h10H,2-8H2,1H3
InChIKeyDXZLBZXHFLNKEO-UHFFFAOYSA-N
MW179.69 g/mol
LogP1.63
Rot. Bonds8

About N-[2-(2-chloroethoxy)ethyl]butan-1-amine

N-[2-(2-chloroethoxy)ethyl]butan-1-amine (PubChem CID 65023784) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is N-[2-(2-chloroethoxy)ethyl]butan-1-amine.

Molecular Properties

Compound NameN-[2-(2-chloroethoxy)ethyl]butan-1-amine
PubChem CID65023784
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC NameN-[2-(2-chloroethoxy)ethyl]butan-1-amine
SMILESCCCCNCCOCCCl
InChIInChI=1S/C8H18ClNO/c1-2-3-5-10-6-8-11-7-4-9/h10H,2-8H2,1H3
InChIKeyDXZLBZXHFLNKEO-UHFFFAOYSA-N
XLogP1.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethoxy)ethyl]butan-1-amine?
The IUPAC name of N-[2-(2-chloroethoxy)ethyl]butan-1-amine (CID 65023784) is N-[2-(2-chloroethoxy)ethyl]butan-1-amine.
What is the SMILES notation for N-[2-(2-chloroethoxy)ethyl]butan-1-amine?
The canonical SMILES for N-[2-(2-chloroethoxy)ethyl]butan-1-amine is CCCCNCCOCCCl.
What is the InChIKey of N-[2-(2-chloroethoxy)ethyl]butan-1-amine?
The InChIKey is DXZLBZXHFLNKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClNO/c1-2-3-5-10-6-8-11-7-4-9/h10H,2-8H2,1H3.
What are the key properties of N-[2-(2-chloroethoxy)ethyl]butan-1-amine?
N-[2-(2-chloroethoxy)ethyl]butan-1-amine has a molecular weight of 179.69 g/mol, XLogP of 1.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethoxy)ethyl]butan-1-amine is sourced from PubChem (CID 65023784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).