2-[3-bromopropyl(propyl)amino]ethanol

C8H18BrNO — CID 61425252

IUPAC2-[3-bromopropyl(propyl)amino]ethanol
SMILESCCCN(CCO)CCCBr
InChIInChI=1S/C8H18BrNO/c1-2-5-10(7-8-11)6-3-4-9/h11H,2-8H2,1H3
InChIKeyUQDSKMVXAJYEPC-UHFFFAOYSA-N
MW224.14 g/mol
LogP1.48
Rot. Bonds7

About 2-[3-bromopropyl(propyl)amino]ethanol

2-[3-bromopropyl(propyl)amino]ethanol (PubChem CID 61425252) has the molecular formula C8H18BrNO and a molecular weight of 224.14 g/mol. Its IUPAC name is 2-[3-bromopropyl(propyl)amino]ethanol.

Molecular Properties

Compound Name2-[3-bromopropyl(propyl)amino]ethanol
PubChem CID61425252
Molecular FormulaC8H18BrNO
Molecular Weight224.14 g/mol
Exact Mass223.06
IUPAC Name2-[3-bromopropyl(propyl)amino]ethanol
SMILESCCCN(CCO)CCCBr
InChIInChI=1S/C8H18BrNO/c1-2-5-10(7-8-11)6-3-4-9/h11H,2-8H2,1H3
InChIKeyUQDSKMVXAJYEPC-UHFFFAOYSA-N
XLogP1.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-bromopropyl(propyl)amino]ethanol?
The IUPAC name of 2-[3-bromopropyl(propyl)amino]ethanol (CID 61425252) is 2-[3-bromopropyl(propyl)amino]ethanol.
What is the SMILES notation for 2-[3-bromopropyl(propyl)amino]ethanol?
The canonical SMILES for 2-[3-bromopropyl(propyl)amino]ethanol is CCCN(CCO)CCCBr.
What is the InChIKey of 2-[3-bromopropyl(propyl)amino]ethanol?
The InChIKey is UQDSKMVXAJYEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18BrNO/c1-2-5-10(7-8-11)6-3-4-9/h11H,2-8H2,1H3.
What are the key properties of 2-[3-bromopropyl(propyl)amino]ethanol?
2-[3-bromopropyl(propyl)amino]ethanol has a molecular weight of 224.14 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromopropyl(propyl)amino]ethanol is sourced from PubChem (CID 61425252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).