N-[1-(2,3-difluorophenyl)ethyl]-N-methylpyrrolidin-3-amine

C13H18F2N2 — CID 114059322

IUPACN-[1-(2,3-difluorophenyl)ethyl]-N-methylpyrrolidin-3-amine
SMILESCC(c1cccc(F)c1F)N(C)C1CCNC1
InChIInChI=1S/C13H18F2N2/c1-9(17(2)10-6-7-16-8-10)11-4-3-5-12(14)13(11)15/h3-5,9-10,16H,6-8H2,1-2H3
InChIKeyWKLJDIUCDGGGLY-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.32
Rot. Bonds3

About N-[1-(2,3-difluorophenyl)ethyl]-N-methylpyrrolidin-3-amine

N-[1-(2,3-difluorophenyl)ethyl]-N-methylpyrrolidin-3-amine (PubChem CID 114059322) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is N-[1-(2,3-difluorophenyl)ethyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[1-(2,3-difluorophenyl)ethyl]-N-methylpyrrolidin-3-amine
PubChem CID114059322
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC NameN-[1-(2,3-difluorophenyl)ethyl]-N-methylpyrrolidin-3-amine
SMILESCC(c1cccc(F)c1F)N(C)C1CCNC1
InChIInChI=1S/C13H18F2N2/c1-9(17(2)10-6-7-16-8-10)11-4-3-5-12(14)13(11)15/h3-5,9-10,16H,6-8H2,1-2H3
InChIKeyWKLJDIUCDGGGLY-UHFFFAOYSA-N
XLogP2.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,3-dichlorophenyl)ethyl]-N-methylpyrrolidin-3-amine
CID 114079689
N-[1-(4-bromo-2-fluorophenyl)ethyl]-N-methylpyrrolidin-3-amine
CID 82970177
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-N-methylpyrrolidin-3-amine
CID 63298327
2,3-difluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554382
N-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine
CID 63297008
N-[1-(2,4-difluorophenyl)ethyl]-N-methylpiperidin-3-amine
CID 55248346
N-methyl-N-[1-(4-phenylphenyl)ethyl]pyrrolidin-3-amine
CID 63297346
N-[1-(4-fluorophenyl)propan-2-yl]-N-methylpyrrolidin-3-amine
CID 114794765
cis-(1R,2S)-2-(2,3-difluorophenyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]cyclopropane-1-carboxamide
CID 124613976
trans-(1R,2R)-2-(2,3-difluorophenyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]cyclopropane-1-carboxamide
CID 124781032
N-[1-(2-fluorophenyl)ethyl]-N-methylpyrrolidine-3-sulfonamide
CID 65416386
(3R)-N-methyl-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine;hydrochloride
CID 71637515

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-difluorophenyl)ethyl]-N-methylpyrrolidin-3-amine?
The IUPAC name of N-[1-(2,3-difluorophenyl)ethyl]-N-methylpyrrolidin-3-amine (CID 114059322) is N-[1-(2,3-difluorophenyl)ethyl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[1-(2,3-difluorophenyl)ethyl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for N-[1-(2,3-difluorophenyl)ethyl]-N-methylpyrrolidin-3-amine is CC(c1cccc(F)c1F)N(C)C1CCNC1.
What is the InChIKey of N-[1-(2,3-difluorophenyl)ethyl]-N-methylpyrrolidin-3-amine?
The InChIKey is WKLJDIUCDGGGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-9(17(2)10-6-7-16-8-10)11-4-3-5-12(14)13(11)15/h3-5,9-10,16H,6-8H2,1-2H3.
What are the key properties of N-[1-(2,3-difluorophenyl)ethyl]-N-methylpyrrolidin-3-amine?
N-[1-(2,3-difluorophenyl)ethyl]-N-methylpyrrolidin-3-amine has a molecular weight of 240.30 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-difluorophenyl)ethyl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 114059322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).