N'-methyl-N'-[[4-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]methyl]ethane-1,2-diamine

C15H18F3N3 — CID 118987452

IUPACN'-methyl-N'-[[4-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]methyl]ethane-1,2-diamine
SMILESCN(CCN)Cc1c[nH]cc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H18F3N3/c1-21(6-5-19)10-12-8-20-9-14(12)11-3-2-4-13(7-11)15(16,17)18/h2-4,7-9,20H,5-6,10,19H2,1H3
InChIKeyVZDPLMKEFMWBMM-UHFFFAOYSA-N
MW297.32 g/mol
LogP3.09
Rot. Bonds5

About N'-methyl-N'-[[4-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]methyl]ethane-1,2-diamine

N'-methyl-N'-[[4-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]methyl]ethane-1,2-diamine (PubChem CID 118987452) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is N'-methyl-N'-[[4-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[[4-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]methyl]ethane-1,2-diamine
PubChem CID118987452
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC NameN'-methyl-N'-[[4-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]methyl]ethane-1,2-diamine
SMILESCN(CCN)Cc1c[nH]cc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H18F3N3/c1-21(6-5-19)10-12-8-20-9-14(12)11-3-2-4-13(7-11)15(16,17)18/h2-4,7-9,20H,5-6,10,19H2,1H3
InChIKeyVZDPLMKEFMWBMM-UHFFFAOYSA-N
XLogP3.09
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N'-methyl-N'-[[4-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]methyl]ethane-1,2-diamine 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'-methyl-N'-[[4-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[[4-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]methyl]ethane-1,2-diamine (CID 118987452) is N'-methyl-N'-[[4-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[[4-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[[4-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]methyl]ethane-1,2-diamine is CN(CCN)Cc1c[nH]cc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of N'-methyl-N'-[[4-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]methyl]ethane-1,2-diamine?
The InChIKey is VZDPLMKEFMWBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-21(6-5-19)10-12-8-20-9-14(12)11-3-2-4-13(7-11)15(16,17)18/h2-4,7-9,20H,5-6,10,19H2,1H3.
What are the key properties of N'-methyl-N'-[[4-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]methyl]ethane-1,2-diamine?
N'-methyl-N'-[[4-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]methyl]ethane-1,2-diamine has a molecular weight of 297.32 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[[4-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 118987452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).