4-bromo-N-[3-(2-methoxyethoxy)propyl]butan-2-amine

C10H22BrNO2 — CID 103413141

IUPAC4-bromo-N-[3-(2-methoxyethoxy)propyl]butan-2-amine
SMILESCOCCOCCCNC(C)CCBr
InChIInChI=1S/C10H22BrNO2/c1-10(4-5-11)12-6-3-7-14-9-8-13-2/h10,12H,3-9H2,1-2H3
InChIKeyIIPPHECAIFMWHO-UHFFFAOYSA-N
MW268.19 g/mol
LogP1.80
Rot. Bonds10

About 4-bromo-N-[3-(2-methoxyethoxy)propyl]butan-2-amine

4-bromo-N-[3-(2-methoxyethoxy)propyl]butan-2-amine (PubChem CID 103413141) has the molecular formula C10H22BrNO2 and a molecular weight of 268.19 g/mol. Its IUPAC name is 4-bromo-N-[3-(2-methoxyethoxy)propyl]butan-2-amine.

Molecular Properties

Compound Name4-bromo-N-[3-(2-methoxyethoxy)propyl]butan-2-amine
PubChem CID103413141
Molecular FormulaC10H22BrNO2
Molecular Weight268.19 g/mol
Exact Mass267.08
IUPAC Name4-bromo-N-[3-(2-methoxyethoxy)propyl]butan-2-amine
SMILESCOCCOCCCNC(C)CCBr
InChIInChI=1S/C10H22BrNO2/c1-10(4-5-11)12-6-3-7-14-9-8-13-2/h10,12H,3-9H2,1-2H3
InChIKeyIIPPHECAIFMWHO-UHFFFAOYSA-N
XLogP1.80
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.19
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[3-(2-methoxyethoxy)propyl]-5-methylhexan-2-amine
CID 43206916
4-bromo-N-[3-(2-methoxyethoxy)propyl]pentan-2-amine
CID 103413145
4-bromo-N-(2-butoxyethyl)butan-2-amine
CID 83186631
1-ethoxy-N-[3-(2-methoxyethoxy)propyl]propan-2-amine
CID 115707889
4-methoxy-N-[3-(2-methoxyethoxy)propyl]-4-methylpentan-2-amine
CID 43147222
N-(3-methoxypropyl)-5-methylhexan-2-amine
CID 43205131
4-bromo-N-butylbutan-2-amine
CID 83187017
N-[3-(2-methoxyethoxy)propyl]pentan-3-amine
CID 28720947
N-(3-propoxypropyl)pentan-2-amine
CID 82940850
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propan-2-ylpentan-1-amine
CID 104566618
methyl 2-[3-(2-methoxyethoxy)propylamino]propanoate
CID 66173501
(2R)-2-[3-(2-methoxyethoxy)propylamino]propanoic acid
CID 103410935

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(2-methoxyethoxy)propyl]butan-2-amine?
The IUPAC name of 4-bromo-N-[3-(2-methoxyethoxy)propyl]butan-2-amine (CID 103413141) is 4-bromo-N-[3-(2-methoxyethoxy)propyl]butan-2-amine.
What is the SMILES notation for 4-bromo-N-[3-(2-methoxyethoxy)propyl]butan-2-amine?
The canonical SMILES for 4-bromo-N-[3-(2-methoxyethoxy)propyl]butan-2-amine is COCCOCCCNC(C)CCBr.
What is the InChIKey of 4-bromo-N-[3-(2-methoxyethoxy)propyl]butan-2-amine?
The InChIKey is IIPPHECAIFMWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22BrNO2/c1-10(4-5-11)12-6-3-7-14-9-8-13-2/h10,12H,3-9H2,1-2H3.
What are the key properties of 4-bromo-N-[3-(2-methoxyethoxy)propyl]butan-2-amine?
4-bromo-N-[3-(2-methoxyethoxy)propyl]butan-2-amine has a molecular weight of 268.19 g/mol, XLogP of 1.80, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(2-methoxyethoxy)propyl]butan-2-amine is sourced from PubChem (CID 103413141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).