N-[2-(3,4-difluorophenyl)ethyl]-N-methylpyrrolidin-3-amine

C13H18F2N2 — CID 115119108

IUPACN-[2-(3,4-difluorophenyl)ethyl]-N-methylpyrrolidin-3-amine
SMILESCN(CCc1ccc(F)c(F)c1)C1CCNC1
InChIInChI=1S/C13H18F2N2/c1-17(11-4-6-16-9-11)7-5-10-2-3-12(14)13(15)8-10/h2-3,8,11,16H,4-7,9H2,1H3
InChIKeyFDVCNGAQTRWPNQ-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.80
Rot. Bonds4

About N-[2-(3,4-difluorophenyl)ethyl]-N-methylpyrrolidin-3-amine

N-[2-(3,4-difluorophenyl)ethyl]-N-methylpyrrolidin-3-amine (PubChem CID 115119108) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenyl)ethyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenyl)ethyl]-N-methylpyrrolidin-3-amine
PubChem CID115119108
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC NameN-[2-(3,4-difluorophenyl)ethyl]-N-methylpyrrolidin-3-amine
SMILESCN(CCc1ccc(F)c(F)c1)C1CCNC1
InChIInChI=1S/C13H18F2N2/c1-17(11-4-6-16-9-11)7-5-10-2-3-12(14)13(15)8-10/h2-3,8,11,16H,4-7,9H2,1H3
InChIKeyFDVCNGAQTRWPNQ-UHFFFAOYSA-N
XLogP1.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(3,4-difluorophenyl)ethyl]-N-methylpyrrolidin-3-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

4-(3,4-difluorophenyl)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119552359
N-[(3,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921462
N-[2-(3,4-difluorophenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine
CID 115146092
4-(3,4-difluorophenyl)-N-piperidin-4-yl-N-propylbutanamide
CID 119824702
N-[(2,4-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 63297959
N-[2-(4-ethylphenyl)ethyl]-N-methylpiperidin-4-amine
CID 115118500
N-(3,4-difluorophenyl)-N-methylazetidin-3-amine
CID 117040558
N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-3-amine
CID 63642664
4-[3-(3,4-difluorophenyl)propyl]piperidine
CID 18187745
N-methyl-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]pyrrolidin-3-amine
CID 115119146
N-[(4-fluoro-3-methylphenyl)methyl]-N-methylpiperidin-3-amine
CID 63643681
N-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-amine
CID 55244427

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenyl)ethyl]-N-methylpyrrolidin-3-amine?
The IUPAC name of N-[2-(3,4-difluorophenyl)ethyl]-N-methylpyrrolidin-3-amine (CID 115119108) is N-[2-(3,4-difluorophenyl)ethyl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[2-(3,4-difluorophenyl)ethyl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for N-[2-(3,4-difluorophenyl)ethyl]-N-methylpyrrolidin-3-amine is CN(CCc1ccc(F)c(F)c1)C1CCNC1.
What is the InChIKey of N-[2-(3,4-difluorophenyl)ethyl]-N-methylpyrrolidin-3-amine?
The InChIKey is FDVCNGAQTRWPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-17(11-4-6-16-9-11)7-5-10-2-3-12(14)13(15)8-10/h2-3,8,11,16H,4-7,9H2,1H3.
What are the key properties of N-[2-(3,4-difluorophenyl)ethyl]-N-methylpyrrolidin-3-amine?
N-[2-(3,4-difluorophenyl)ethyl]-N-methylpyrrolidin-3-amine has a molecular weight of 240.30 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenyl)ethyl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 115119108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).