1-bromo-3-[cyclopropyl(ethyl)amino]propan-2-ol

C8H16BrNO — CID 112561231

IUPAC1-bromo-3-[cyclopropyl(ethyl)amino]propan-2-ol
SMILESCCN(CC(O)CBr)C1CC1
InChIInChI=1S/C8H16BrNO/c1-2-10(7-3-4-7)6-8(11)5-9/h7-8,11H,2-6H2,1H3
InChIKeyRLGRIJGZXFFVFY-UHFFFAOYSA-N
MW222.13 g/mol
LogP1.23
Rot. Bonds5

About 1-bromo-3-[cyclopropyl(ethyl)amino]propan-2-ol

1-bromo-3-[cyclopropyl(ethyl)amino]propan-2-ol (PubChem CID 112561231) has the molecular formula C8H16BrNO and a molecular weight of 222.13 g/mol. Its IUPAC name is 1-bromo-3-[cyclopropyl(ethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-bromo-3-[cyclopropyl(ethyl)amino]propan-2-ol
PubChem CID112561231
Molecular FormulaC8H16BrNO
Molecular Weight222.13 g/mol
Exact Mass221.04
IUPAC Name1-bromo-3-[cyclopropyl(ethyl)amino]propan-2-ol
SMILESCCN(CC(O)CBr)C1CC1
InChIInChI=1S/C8H16BrNO/c1-2-10(7-3-4-7)6-8(11)5-9/h7-8,11H,2-6H2,1H3
InChIKeyRLGRIJGZXFFVFY-UHFFFAOYSA-N
XLogP1.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.13
LogP ≤ 51.23
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 1-bromo-3-[cyclopropyl(ethyl)amino]propan-2-ol?
The IUPAC name of 1-bromo-3-[cyclopropyl(ethyl)amino]propan-2-ol (CID 112561231) is 1-bromo-3-[cyclopropyl(ethyl)amino]propan-2-ol.
What is the SMILES notation for 1-bromo-3-[cyclopropyl(ethyl)amino]propan-2-ol?
The canonical SMILES for 1-bromo-3-[cyclopropyl(ethyl)amino]propan-2-ol is CCN(CC(O)CBr)C1CC1.
What is the InChIKey of 1-bromo-3-[cyclopropyl(ethyl)amino]propan-2-ol?
The InChIKey is RLGRIJGZXFFVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO/c1-2-10(7-3-4-7)6-8(11)5-9/h7-8,11H,2-6H2,1H3.
What are the key properties of 1-bromo-3-[cyclopropyl(ethyl)amino]propan-2-ol?
1-bromo-3-[cyclopropyl(ethyl)amino]propan-2-ol has a molecular weight of 222.13 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[cyclopropyl(ethyl)amino]propan-2-ol is sourced from PubChem (CID 112561231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).