4-bromo-N-(2-ethoxyethyl)butan-1-amine

C8H18BrNO — CID 106844762

IUPAC4-bromo-N-(2-ethoxyethyl)butan-1-amine
SMILESCCOCCNCCCCBr
InChIInChI=1S/C8H18BrNO/c1-2-11-8-7-10-6-4-3-5-9/h10H,2-8H2,1H3
InChIKeyWHHYYZFSZGNYNR-UHFFFAOYSA-N
MW224.14 g/mol
LogP1.79
Rot. Bonds8

About 4-bromo-N-(2-ethoxyethyl)butan-1-amine

4-bromo-N-(2-ethoxyethyl)butan-1-amine (PubChem CID 106844762) has the molecular formula C8H18BrNO and a molecular weight of 224.14 g/mol. Its IUPAC name is 4-bromo-N-(2-ethoxyethyl)butan-1-amine.

Molecular Properties

Compound Name4-bromo-N-(2-ethoxyethyl)butan-1-amine
PubChem CID106844762
Molecular FormulaC8H18BrNO
Molecular Weight224.14 g/mol
Exact Mass223.06
IUPAC Name4-bromo-N-(2-ethoxyethyl)butan-1-amine
SMILESCCOCCNCCCCBr
InChIInChI=1S/C8H18BrNO/c1-2-11-8-7-10-6-4-3-5-9/h10H,2-8H2,1H3
InChIKeyWHHYYZFSZGNYNR-UHFFFAOYSA-N
XLogP1.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 51.79
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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Related Compounds

4-bromo-N-(2-propoxyethyl)butan-1-amine
CID 106844739
4-ethoxy-N-(2-ethoxyethyl)butan-1-amine
CID 62565193
5-bromo-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pentan-1-amine
CID 107320355
4-ethoxy-N-[2-(2-ethoxyethoxy)ethyl]butan-1-amine
CID 62565012
6-bromo-N-[2-(2-methylpropoxy)ethyl]hexan-1-amine
CID 107844233
ethane;N-[2-(2-ethoxyethoxy)ethyl]-6-methylsulfanyloxyhexan-1-amine
CID 177359498
N-[2-(2-ethoxyethoxy)ethyl]-3-methoxypropan-1-amine
CID 62565586
5-bromo-N-pentylpentan-1-amine
CID 107320303
N-(5-bromopentyl)octan-1-amine
CID 107320236
6-bromo-N-pentylhexan-1-amine
CID 107844161
N-(2-ethoxyethyl)propan-1-amine;methane
CID 157152444
7-ethoxy-N-propylheptan-1-amine
CID 163393813

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-ethoxyethyl)butan-1-amine?
The IUPAC name of 4-bromo-N-(2-ethoxyethyl)butan-1-amine (CID 106844762) is 4-bromo-N-(2-ethoxyethyl)butan-1-amine.
What is the SMILES notation for 4-bromo-N-(2-ethoxyethyl)butan-1-amine?
The canonical SMILES for 4-bromo-N-(2-ethoxyethyl)butan-1-amine is CCOCCNCCCCBr.
What is the InChIKey of 4-bromo-N-(2-ethoxyethyl)butan-1-amine?
The InChIKey is WHHYYZFSZGNYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18BrNO/c1-2-11-8-7-10-6-4-3-5-9/h10H,2-8H2,1H3.
What are the key properties of 4-bromo-N-(2-ethoxyethyl)butan-1-amine?
4-bromo-N-(2-ethoxyethyl)butan-1-amine has a molecular weight of 224.14 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-ethoxyethyl)butan-1-amine is sourced from PubChem (CID 106844762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).