N-benzyl-1-cyclopropyl-2,2-difluoroethanamine

C12H15F2N — CID 131114338

IUPACN-benzyl-1-cyclopropyl-2,2-difluoroethanamine
SMILESFC(F)C(NCc1ccccc1)C1CC1
InChIInChI=1S/C12H15F2N/c13-12(14)11(10-6-7-10)15-8-9-4-2-1-3-5-9/h1-5,10-12,15H,6-8H2
InChIKeyINKJOYNRPLUBKT-UHFFFAOYSA-N
MW211.25 g/mol
LogP2.82
Rot. Bonds5

About N-benzyl-1-cyclopropyl-2,2-difluoroethanamine

N-benzyl-1-cyclopropyl-2,2-difluoroethanamine (PubChem CID 131114338) has the molecular formula C12H15F2N and a molecular weight of 211.25 g/mol. Its IUPAC name is N-benzyl-1-cyclopropyl-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-benzyl-1-cyclopropyl-2,2-difluoroethanamine
PubChem CID131114338
Molecular FormulaC12H15F2N
Molecular Weight211.25 g/mol
Exact Mass211.12
IUPAC NameN-benzyl-1-cyclopropyl-2,2-difluoroethanamine
SMILESFC(F)C(NCc1ccccc1)C1CC1
InChIInChI=1S/C12H15F2N/c13-12(14)11(10-6-7-10)15-8-9-4-2-1-3-5-9/h1-5,10-12,15H,6-8H2
InChIKeyINKJOYNRPLUBKT-UHFFFAOYSA-N
XLogP2.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-benzyl-1-cyclopropyl-2,2-difluoroethanamine with MolForge

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

Launch Full Analysis

Related Compounds

N-benzyl-1-cyclopropyl-2,2,2-trifluoroethanamine
CID 121208219
methyl 2-(benzylamino)-2-cyclopropylacetate
CID 61310357
N-benzyl-1-cyclopentylpropan-2-amine
CID 71379591
methyl 3-(benzylamino)-3-cyclopropylpropanoate
CID 134161981
2-(benzylamino)-2-(4-tert-butylcyclohexyl)ethanol
CID 104575780
1-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 115708476
N-benzyl-1-pyrrolidin-3-ylethanamine
CID 67740101
2-(benzylamino)-3-cyclopentylpropanenitrile
CID 130949938
(1R)-N-benzyl-1-[(3R,5S)-3,5-dimethylcyclohexyl]ethanamine
CID 125423706
(1S)-N-benzyl-1-cyclohexylbut-3-en-1-amine
CID 10922765
N-benzyl-1-cyclopentyl-1-thiophen-2-ylmethanamine
CID 43740592
N-benzyl-3-cyclobutyl-1,1-dimethoxypropan-2-amine
CID 46855579

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-cyclopropyl-2,2-difluoroethanamine?
The IUPAC name of N-benzyl-1-cyclopropyl-2,2-difluoroethanamine (CID 131114338) is N-benzyl-1-cyclopropyl-2,2-difluoroethanamine.
What is the SMILES notation for N-benzyl-1-cyclopropyl-2,2-difluoroethanamine?
The canonical SMILES for N-benzyl-1-cyclopropyl-2,2-difluoroethanamine is FC(F)C(NCc1ccccc1)C1CC1.
What is the InChIKey of N-benzyl-1-cyclopropyl-2,2-difluoroethanamine?
The InChIKey is INKJOYNRPLUBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c13-12(14)11(10-6-7-10)15-8-9-4-2-1-3-5-9/h1-5,10-12,15H,6-8H2.
What are the key properties of N-benzyl-1-cyclopropyl-2,2-difluoroethanamine?
N-benzyl-1-cyclopropyl-2,2-difluoroethanamine has a molecular weight of 211.25 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-cyclopropyl-2,2-difluoroethanamine is sourced from PubChem (CID 131114338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).