N-[[4-(difluoromethoxy)phenyl]methyl]pyrrol-1-amine

C12H12F2N2O — CID 79090183

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]pyrrol-1-amine
SMILESFC(F)Oc1ccc(CNn2cccc2)cc1
InChIInChI=1S/C12H12F2N2O/c13-12(14)17-11-5-3-10(4-6-11)9-15-16-7-1-2-8-16/h1-8,12,15H,9H2
InChIKeyJZIZXJLCDSSYBY-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.83
Rot. Bonds5

About N-[[4-(difluoromethoxy)phenyl]methyl]pyrrol-1-amine

N-[[4-(difluoromethoxy)phenyl]methyl]pyrrol-1-amine (PubChem CID 79090183) has the molecular formula C12H12F2N2O and a molecular weight of 238.24 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]pyrrol-1-amine.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]pyrrol-1-amine
PubChem CID79090183
Molecular FormulaC12H12F2N2O
Molecular Weight238.24 g/mol
Exact Mass238.09
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]pyrrol-1-amine
SMILESFC(F)Oc1ccc(CNn2cccc2)cc1
InChIInChI=1S/C12H12F2N2O/c13-12(14)17-11-5-3-10(4-6-11)9-15-16-7-1-2-8-16/h1-8,12,15H,9H2
InChIKeyJZIZXJLCDSSYBY-UHFFFAOYSA-N
XLogP2.83
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-(difluoromethoxy)phenyl]methyl]pyrrol-1-amine 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

1-[[4-(difluoromethoxy)phenyl]methyl]pyrazole
CID 174835296
N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 51072984
N-[[4-(difluoromethoxy)phenyl]methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 42919850
1-[4-(difluoromethoxy)phenyl]-N-[(3,4-difluorophenyl)methyl]methanamine
CID 28678045
3-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]benzene-1,2-diol
CID 61318661
1-[(diethylsulfamoylamino)methyl]-4-(difluoromethoxy)benzene
CID 31076489
N-[[4-(difluoromethoxy)phenyl]methyl]-3-iodoaniline
CID 28977429
1-(difluoromethoxy)-4-ethylbenzene;ethane
CID 170568946
N-[[4-(difluoromethoxy)phenyl]methyl]-2-methylprop-2-en-1-amine
CID 115574779
N-[[4-(difluoromethoxy)phenyl]methyl]pentan-2-amine
CID 43177714
(1R)-1-(3-chlorophenyl)-N-[[4-(difluoromethoxy)phenyl]methyl]ethanamine
CID 29031162
2-N,6-N-bis[[4-(difluoromethoxy)phenyl]methyl]pyridine-2,6-dicarboxamide
CID 39047207

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]pyrrol-1-amine?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]pyrrol-1-amine (CID 79090183) is N-[[4-(difluoromethoxy)phenyl]methyl]pyrrol-1-amine.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]pyrrol-1-amine?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]pyrrol-1-amine is FC(F)Oc1ccc(CNn2cccc2)cc1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]pyrrol-1-amine?
The InChIKey is JZIZXJLCDSSYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O/c13-12(14)17-11-5-3-10(4-6-11)9-15-16-7-1-2-8-16/h1-8,12,15H,9H2.
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]pyrrol-1-amine?
N-[[4-(difluoromethoxy)phenyl]methyl]pyrrol-1-amine has a molecular weight of 238.24 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]pyrrol-1-amine is sourced from PubChem (CID 79090183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).