N-[[1-(bromomethyl)cyclopentyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine

C12H21BrF3N — CID 65002899

IUPACN-[[1-(bromomethyl)cyclopentyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCC(C)N(CC(F)(F)F)CC1(CBr)CCCC1
InChIInChI=1S/C12H21BrF3N/c1-10(2)17(9-12(14,15)16)8-11(7-13)5-3-4-6-11/h10H,3-9H2,1-2H3
InChIKeyKHWHRUXLCPWEQU-UHFFFAOYSA-N
MW316.21 g/mol
LogP4.21
Rot. Bonds5

About N-[[1-(bromomethyl)cyclopentyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine

N-[[1-(bromomethyl)cyclopentyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine (PubChem CID 65002899) has the molecular formula C12H21BrF3N and a molecular weight of 316.21 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclopentyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclopentyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
PubChem CID65002899
Molecular FormulaC12H21BrF3N
Molecular Weight316.21 g/mol
Exact Mass315.08
IUPAC NameN-[[1-(bromomethyl)cyclopentyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCC(C)N(CC(F)(F)F)CC1(CBr)CCCC1
InChIInChI=1S/C12H21BrF3N/c1-10(2)17(9-12(14,15)16)8-11(7-13)5-3-4-6-11/h10H,3-9H2,1-2H3
InChIKeyKHWHRUXLCPWEQU-UHFFFAOYSA-N
XLogP4.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[[1-(bromomethyl)cyclopentyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine (CID 65002899) is N-[[1-(bromomethyl)cyclopentyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine.
What is the SMILES notation for N-[[1-(bromomethyl)cyclopentyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The canonical SMILES for N-[[1-(bromomethyl)cyclopentyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine is CC(C)N(CC(F)(F)F)CC1(CBr)CCCC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclopentyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The InChIKey is KHWHRUXLCPWEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrF3N/c1-10(2)17(9-12(14,15)16)8-11(7-13)5-3-4-6-11/h10H,3-9H2,1-2H3.
What are the key properties of N-[[1-(bromomethyl)cyclopentyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
N-[[1-(bromomethyl)cyclopentyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine has a molecular weight of 316.21 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclopentyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine is sourced from PubChem (CID 65002899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).