2-(bromomethyl)-N-ethyl-2-propyl-N-(2,2,2-trifluoroethyl)pentan-1-amine

C13H25BrF3N — CID 65005129

IUPAC2-(bromomethyl)-N-ethyl-2-propyl-N-(2,2,2-trifluoroethyl)pentan-1-amine
SMILESCCCC(CBr)(CCC)CN(CC)CC(F)(F)F
InChIInChI=1S/C13H25BrF3N/c1-4-7-12(9-14,8-5-2)10-18(6-3)11-13(15,16)17/h4-11H2,1-3H3
InChIKeyUTYDJGXFBUGOMV-UHFFFAOYSA-N
MW332.25 g/mol
LogP4.85
Rot. Bonds9

About 2-(bromomethyl)-N-ethyl-2-propyl-N-(2,2,2-trifluoroethyl)pentan-1-amine

2-(bromomethyl)-N-ethyl-2-propyl-N-(2,2,2-trifluoroethyl)pentan-1-amine (PubChem CID 65005129) has the molecular formula C13H25BrF3N and a molecular weight of 332.25 g/mol. Its IUPAC name is 2-(bromomethyl)-N-ethyl-2-propyl-N-(2,2,2-trifluoroethyl)pentan-1-amine.

Molecular Properties

Compound Name2-(bromomethyl)-N-ethyl-2-propyl-N-(2,2,2-trifluoroethyl)pentan-1-amine
PubChem CID65005129
Molecular FormulaC13H25BrF3N
Molecular Weight332.25 g/mol
Exact Mass331.11
IUPAC Name2-(bromomethyl)-N-ethyl-2-propyl-N-(2,2,2-trifluoroethyl)pentan-1-amine
SMILESCCCC(CBr)(CCC)CN(CC)CC(F)(F)F
InChIInChI=1S/C13H25BrF3N/c1-4-7-12(9-14,8-5-2)10-18(6-3)11-13(15,16)17/h4-11H2,1-3H3
InChIKeyUTYDJGXFBUGOMV-UHFFFAOYSA-N
XLogP4.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.25
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-2-propyl-N-(2,2,2-trifluoroethyl)pentan-1-amine?
The IUPAC name of 2-(bromomethyl)-N-ethyl-2-propyl-N-(2,2,2-trifluoroethyl)pentan-1-amine (CID 65005129) is 2-(bromomethyl)-N-ethyl-2-propyl-N-(2,2,2-trifluoroethyl)pentan-1-amine.
What is the SMILES notation for 2-(bromomethyl)-N-ethyl-2-propyl-N-(2,2,2-trifluoroethyl)pentan-1-amine?
The canonical SMILES for 2-(bromomethyl)-N-ethyl-2-propyl-N-(2,2,2-trifluoroethyl)pentan-1-amine is CCCC(CBr)(CCC)CN(CC)CC(F)(F)F.
What is the InChIKey of 2-(bromomethyl)-N-ethyl-2-propyl-N-(2,2,2-trifluoroethyl)pentan-1-amine?
The InChIKey is UTYDJGXFBUGOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25BrF3N/c1-4-7-12(9-14,8-5-2)10-18(6-3)11-13(15,16)17/h4-11H2,1-3H3.
What are the key properties of 2-(bromomethyl)-N-ethyl-2-propyl-N-(2,2,2-trifluoroethyl)pentan-1-amine?
2-(bromomethyl)-N-ethyl-2-propyl-N-(2,2,2-trifluoroethyl)pentan-1-amine has a molecular weight of 332.25 g/mol, XLogP of 4.85, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-N-ethyl-2-propyl-N-(2,2,2-trifluoroethyl)pentan-1-amine is sourced from PubChem (CID 65005129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).