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

C7H14BrNO — CID 112561232

IUPAC1-bromo-3-[cyclopropyl(methyl)amino]propan-2-ol
SMILESCN(CC(O)CBr)C1CC1
InChIInChI=1S/C7H14BrNO/c1-9(6-2-3-6)5-7(10)4-8/h6-7,10H,2-5H2,1H3
InChIKeyHNSKKLDHEGVVMO-UHFFFAOYSA-N
MW208.10 g/mol
LogP0.84
Rot. Bonds4

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

1-bromo-3-[cyclopropyl(methyl)amino]propan-2-ol (PubChem CID 112561232) has the molecular formula C7H14BrNO and a molecular weight of 208.10 g/mol. Its IUPAC name is 1-bromo-3-[cyclopropyl(methyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-bromo-3-[cyclopropyl(methyl)amino]propan-2-ol
PubChem CID112561232
Molecular FormulaC7H14BrNO
Molecular Weight208.10 g/mol
Exact Mass207.03
IUPAC Name1-bromo-3-[cyclopropyl(methyl)amino]propan-2-ol
SMILESCN(CC(O)CBr)C1CC1
InChIInChI=1S/C7H14BrNO/c1-9(6-2-3-6)5-7(10)4-8/h6-7,10H,2-5H2,1H3
InChIKeyHNSKKLDHEGVVMO-UHFFFAOYSA-N
XLogP0.84
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.10
LogP ≤ 50.84
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(methyl)amino]propan-2-ol?
The IUPAC name of 1-bromo-3-[cyclopropyl(methyl)amino]propan-2-ol (CID 112561232) is 1-bromo-3-[cyclopropyl(methyl)amino]propan-2-ol.
What is the SMILES notation for 1-bromo-3-[cyclopropyl(methyl)amino]propan-2-ol?
The canonical SMILES for 1-bromo-3-[cyclopropyl(methyl)amino]propan-2-ol is CN(CC(O)CBr)C1CC1.
What is the InChIKey of 1-bromo-3-[cyclopropyl(methyl)amino]propan-2-ol?
The InChIKey is HNSKKLDHEGVVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrNO/c1-9(6-2-3-6)5-7(10)4-8/h6-7,10H,2-5H2,1H3.
What are the key properties of 1-bromo-3-[cyclopropyl(methyl)amino]propan-2-ol?
1-bromo-3-[cyclopropyl(methyl)amino]propan-2-ol has a molecular weight of 208.10 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[cyclopropyl(methyl)amino]propan-2-ol is sourced from PubChem (CID 112561232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).