2-(bromomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)butan-1-amine

C11H24BrNO — CID 64997501

IUPAC2-(bromomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)butan-1-amine
SMILESCCC(CBr)CN(CC)C(C)COC
InChIInChI=1S/C11H24BrNO/c1-5-11(7-12)8-13(6-2)10(3)9-14-4/h10-11H,5-9H2,1-4H3
InChIKeyVEQHUUJCWSKZKX-UHFFFAOYSA-N
MW266.22 g/mol
LogP2.76
Rot. Bonds8

About 2-(bromomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)butan-1-amine

2-(bromomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)butan-1-amine (PubChem CID 64997501) has the molecular formula C11H24BrNO and a molecular weight of 266.22 g/mol. Its IUPAC name is 2-(bromomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)butan-1-amine.

Molecular Properties

Compound Name2-(bromomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)butan-1-amine
PubChem CID64997501
Molecular FormulaC11H24BrNO
Molecular Weight266.22 g/mol
Exact Mass265.10
IUPAC Name2-(bromomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)butan-1-amine
SMILESCCC(CBr)CN(CC)C(C)COC
InChIInChI=1S/C11H24BrNO/c1-5-11(7-12)8-13(6-2)10(3)9-14-4/h10-11H,5-9H2,1-4H3
InChIKeyVEQHUUJCWSKZKX-UHFFFAOYSA-N
XLogP2.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 52.76
H-Bond Donors ≤ 50
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-(bromomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)butan-1-amine?
The IUPAC name of 2-(bromomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)butan-1-amine (CID 64997501) is 2-(bromomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)butan-1-amine.
What is the SMILES notation for 2-(bromomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)butan-1-amine?
The canonical SMILES for 2-(bromomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)butan-1-amine is CCC(CBr)CN(CC)C(C)COC.
What is the InChIKey of 2-(bromomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)butan-1-amine?
The InChIKey is VEQHUUJCWSKZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24BrNO/c1-5-11(7-12)8-13(6-2)10(3)9-14-4/h10-11H,5-9H2,1-4H3.
What are the key properties of 2-(bromomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)butan-1-amine?
2-(bromomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)butan-1-amine has a molecular weight of 266.22 g/mol, XLogP of 2.76, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)butan-1-amine is sourced from PubChem (CID 64997501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).