N-[[4-(2,2-difluoroethoxymethyl)phenyl]methyl]cyclopropanamine

C13H17F2NO — CID 82005381

IUPACN-[[4-(2,2-difluoroethoxymethyl)phenyl]methyl]cyclopropanamine
SMILESFC(F)COCc1ccc(CNC2CC2)cc1
InChIInChI=1S/C13H17F2NO/c14-13(15)9-17-8-11-3-1-10(2-4-11)7-16-12-5-6-12/h1-4,12-13,16H,5-9H2
InChIKeyGBYWCYFKWZMJNF-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.72
Rot. Bonds7

About N-[[4-(2,2-difluoroethoxymethyl)phenyl]methyl]cyclopropanamine

N-[[4-(2,2-difluoroethoxymethyl)phenyl]methyl]cyclopropanamine (PubChem CID 82005381) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is N-[[4-(2,2-difluoroethoxymethyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(2,2-difluoroethoxymethyl)phenyl]methyl]cyclopropanamine
PubChem CID82005381
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC NameN-[[4-(2,2-difluoroethoxymethyl)phenyl]methyl]cyclopropanamine
SMILESFC(F)COCc1ccc(CNC2CC2)cc1
InChIInChI=1S/C13H17F2NO/c14-13(15)9-17-8-11-3-1-10(2-4-11)7-16-12-5-6-12/h1-4,12-13,16H,5-9H2
InChIKeyGBYWCYFKWZMJNF-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-(2,2-difluoroethoxymethyl)phenyl]methyl]cyclopropanamine 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-[[3-bromo-4-(2,2-difluoroethoxymethyl)phenyl]methyl]cyclopropanamine
CID 102773946
N-[[4-(2-propan-2-yloxyethoxymethyl)phenyl]methyl]cyclopropanamine
CID 55077554
N-[[4-[3-(dimethylamino)propoxymethyl]phenyl]methyl]cyclopropanamine
CID 62458464
N-[[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 82005395
N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62454139
N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine
CID 4723387
N-[[4-[(3-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62459565
N-[[4-(2-methylbutan-2-yloxymethyl)phenyl]methyl]cyclopropanamine
CID 62456997
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 4720086
N-[[4-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62450351
N-[[4-(difluoromethoxy)phenyl]methyl]-3,4-dimethylcyclohexan-1-amine
CID 64733158
1-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]piperidin-4-amine
CID 43234150

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,2-difluoroethoxymethyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(2,2-difluoroethoxymethyl)phenyl]methyl]cyclopropanamine (CID 82005381) is N-[[4-(2,2-difluoroethoxymethyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(2,2-difluoroethoxymethyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(2,2-difluoroethoxymethyl)phenyl]methyl]cyclopropanamine is FC(F)COCc1ccc(CNC2CC2)cc1.
What is the InChIKey of N-[[4-(2,2-difluoroethoxymethyl)phenyl]methyl]cyclopropanamine?
The InChIKey is GBYWCYFKWZMJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c14-13(15)9-17-8-11-3-1-10(2-4-11)7-16-12-5-6-12/h1-4,12-13,16H,5-9H2.
What are the key properties of N-[[4-(2,2-difluoroethoxymethyl)phenyl]methyl]cyclopropanamine?
N-[[4-(2,2-difluoroethoxymethyl)phenyl]methyl]cyclopropanamine has a molecular weight of 241.28 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,2-difluoroethoxymethyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 82005381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).