3-bromo-N-ethyl-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine

C11H24BrNO2 — CID 103184049

IUPAC3-bromo-N-ethyl-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine
SMILESCCN(CCCBr)CCOCCCOC
InChIInChI=1S/C11H24BrNO2/c1-3-13(7-4-6-12)8-11-15-10-5-9-14-2/h3-11H2,1-2H3
InChIKeyLYEQTWSGHLUFTF-UHFFFAOYSA-N
MW282.22 g/mol
LogP2.15
Rot. Bonds11

About 3-bromo-N-ethyl-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine

3-bromo-N-ethyl-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine (PubChem CID 103184049) has the molecular formula C11H24BrNO2 and a molecular weight of 282.22 g/mol. Its IUPAC name is 3-bromo-N-ethyl-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-bromo-N-ethyl-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine
PubChem CID103184049
Molecular FormulaC11H24BrNO2
Molecular Weight282.22 g/mol
Exact Mass281.10
IUPAC Name3-bromo-N-ethyl-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine
SMILESCCN(CCCBr)CCOCCCOC
InChIInChI=1S/C11H24BrNO2/c1-3-13(7-4-6-12)8-11-15-10-5-9-14-2/h3-11H2,1-2H3
InChIKeyLYEQTWSGHLUFTF-UHFFFAOYSA-N
XLogP2.15
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 52.15
H-Bond Donors ≤ 50
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'-ethyl-N'-[2-(3-methoxypropoxy)ethyl]propane-1,3-diamine
CID 103178048
3-bromo-N-ethyl-N-(2-propoxyethyl)propan-1-amine
CID 106457825
N-[2-(2-bromoethoxy)ethyl]-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 114263721
N-ethyl-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 143003406
N-ethyl-N-(2-hexoxyethyl)-2-methoxyethanamine
CID 145404707
1-[ethyl-[2-(3-methoxypropoxy)ethyl]amino]-2-methylpropan-2-ol
CID 103182794
N,N-diethyl-3-methoxypropan-1-amine;ethane
CID 142226095
N-[2-(2-chloroethoxy)ethyl]-N-ethyl-2-methoxyethanamine
CID 63666499
N'-(3-bromopropyl)-N,N,N'-triethylethane-1,2-diamine
CID 107913911
ethane;N-ethyl-N-(2-methoxyethyl)pentan-1-amine
CID 176555082
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
3-[ethyl-[2-(3-methoxypropoxy)ethyl]amino]-2-methylpropanethioamide
CID 103179736

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethyl-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine?
The IUPAC name of 3-bromo-N-ethyl-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine (CID 103184049) is 3-bromo-N-ethyl-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine.
What is the SMILES notation for 3-bromo-N-ethyl-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine?
The canonical SMILES for 3-bromo-N-ethyl-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine is CCN(CCCBr)CCOCCCOC.
What is the InChIKey of 3-bromo-N-ethyl-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine?
The InChIKey is LYEQTWSGHLUFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24BrNO2/c1-3-13(7-4-6-12)8-11-15-10-5-9-14-2/h3-11H2,1-2H3.
What are the key properties of 3-bromo-N-ethyl-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine?
3-bromo-N-ethyl-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine has a molecular weight of 282.22 g/mol, XLogP of 2.15, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-ethyl-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine is sourced from PubChem (CID 103184049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).