N-[[3-bromo-4-(2,2-difluoroethoxymethyl)phenyl]methyl]cyclopropanamine

C13H16BrF2NO — CID 102773946

IUPACN-[[3-bromo-4-(2,2-difluoroethoxymethyl)phenyl]methyl]cyclopropanamine
SMILESFC(F)COCc1ccc(CNC2CC2)cc1Br
InChIInChI=1S/C13H16BrF2NO/c14-12-5-9(6-17-11-3-4-11)1-2-10(12)7-18-8-13(15)16/h1-2,5,11,13,17H,3-4,6-8H2
InChIKeyWMTXCNYBJKKKIP-UHFFFAOYSA-N
MW320.18 g/mol
LogP3.48
Rot. Bonds7

About N-[[3-bromo-4-(2,2-difluoroethoxymethyl)phenyl]methyl]cyclopropanamine

N-[[3-bromo-4-(2,2-difluoroethoxymethyl)phenyl]methyl]cyclopropanamine (PubChem CID 102773946) has the molecular formula C13H16BrF2NO and a molecular weight of 320.18 g/mol. Its IUPAC name is N-[[3-bromo-4-(2,2-difluoroethoxymethyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-bromo-4-(2,2-difluoroethoxymethyl)phenyl]methyl]cyclopropanamine
PubChem CID102773946
Molecular FormulaC13H16BrF2NO
Molecular Weight320.18 g/mol
Exact Mass319.04
IUPAC NameN-[[3-bromo-4-(2,2-difluoroethoxymethyl)phenyl]methyl]cyclopropanamine
SMILESFC(F)COCc1ccc(CNC2CC2)cc1Br
InChIInChI=1S/C13H16BrF2NO/c14-12-5-9(6-17-11-3-4-11)1-2-10(12)7-18-8-13(15)16/h1-2,5,11,13,17H,3-4,6-8H2
InChIKeyWMTXCNYBJKKKIP-UHFFFAOYSA-N
XLogP3.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[3-bromo-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]propan-2-amine
CID 102773954
N-[[4-(2,2-difluoroethoxymethyl)phenyl]methyl]cyclopropanamine
CID 82005381
N-[[3-bromo-4-(thiophen-2-ylmethoxymethyl)phenyl]methyl]cyclopropanamine
CID 102773450
N-[[3-bromo-4-[(2-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 102772959
N-[[3-bromo-4-[(5-bromo-3-pyridinyl)oxymethyl]phenyl]methyl]cyclopropanamine
CID 102773650
N-[[3-bromo-4-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methyl]cyclopropanamine
CID 102774105
N-[(3-bromo-4-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 28551294
N-[[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 82005395
1-[3-bromo-4-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]-N-methylmethanamine
CID 102772439
N-[[3-bromo-4-[(4-methylazepan-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 102771076
N-[[4-fluoro-3-(3,3,3-trifluoropropoxymethyl)phenyl]methyl]cyclopropanamine
CID 107457912
N-[[3-bromo-4-[[ethyl(propyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 102769498

Frequently Asked Questions

What is the IUPAC name of N-[[3-bromo-4-(2,2-difluoroethoxymethyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-bromo-4-(2,2-difluoroethoxymethyl)phenyl]methyl]cyclopropanamine (CID 102773946) is N-[[3-bromo-4-(2,2-difluoroethoxymethyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-bromo-4-(2,2-difluoroethoxymethyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-bromo-4-(2,2-difluoroethoxymethyl)phenyl]methyl]cyclopropanamine is FC(F)COCc1ccc(CNC2CC2)cc1Br.
What is the InChIKey of N-[[3-bromo-4-(2,2-difluoroethoxymethyl)phenyl]methyl]cyclopropanamine?
The InChIKey is WMTXCNYBJKKKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF2NO/c14-12-5-9(6-17-11-3-4-11)1-2-10(12)7-18-8-13(15)16/h1-2,5,11,13,17H,3-4,6-8H2.
What are the key properties of N-[[3-bromo-4-(2,2-difluoroethoxymethyl)phenyl]methyl]cyclopropanamine?
N-[[3-bromo-4-(2,2-difluoroethoxymethyl)phenyl]methyl]cyclopropanamine has a molecular weight of 320.18 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-bromo-4-(2,2-difluoroethoxymethyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 102773946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).