N-[1-(2,5-difluorophenyl)ethyl]-1-methylpyrrolidin-3-amine

C13H18F2N2 — CID 54949716

IUPACN-[1-(2,5-difluorophenyl)ethyl]-1-methylpyrrolidin-3-amine
SMILESCC(NC1CCN(C)C1)c1cc(F)ccc1F
InChIInChI=1S/C13H18F2N2/c1-9(16-11-5-6-17(2)8-11)12-7-10(14)3-4-13(12)15/h3-4,7,9,11,16H,5-6,8H2,1-2H3
InChIKeyPTQKHIPDYMQXBM-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.32
Rot. Bonds3

About N-[1-(2,5-difluorophenyl)ethyl]-1-methylpyrrolidin-3-amine

N-[1-(2,5-difluorophenyl)ethyl]-1-methylpyrrolidin-3-amine (PubChem CID 54949716) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)ethyl]-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)ethyl]-1-methylpyrrolidin-3-amine
PubChem CID54949716
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC NameN-[1-(2,5-difluorophenyl)ethyl]-1-methylpyrrolidin-3-amine
SMILESCC(NC1CCN(C)C1)c1cc(F)ccc1F
InChIInChI=1S/C13H18F2N2/c1-9(16-11-5-6-17(2)8-11)12-7-10(14)3-4-13(12)15/h3-4,7,9,11,16H,5-6,8H2,1-2H3
InChIKeyPTQKHIPDYMQXBM-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-(2,5-difluorophenyl)ethyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103776807
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 81352092
N-[1-(2,5-difluorophenyl)ethyl]-1-methylsulfonylpiperidin-4-amine
CID 43628813
N-[1-(2,5-difluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81298336
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methylpiperidin-3-amine
CID 61210865
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 82994281
N-[(1R)-1-(2-bromophenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 81379065
(3S)-1-methyl-N-(1-phenylethyl)pyrrolidin-3-amine
CID 134939795
N-[1-(4-chlorophenyl)ethyl]-1-methylpiperidin-4-amine
CID 43181057
1-methyl-N-[1-(4-methylphenyl)ethyl]pyrrolidin-3-amine
CID 61461431
N-[1-(3,4-dimethylphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 54949868
1-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidin-3-amine
CID 61462428

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-1-methylpyrrolidin-3-amine?
The IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-1-methylpyrrolidin-3-amine (CID 54949716) is N-[1-(2,5-difluorophenyl)ethyl]-1-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)ethyl]-1-methylpyrrolidin-3-amine?
The canonical SMILES for N-[1-(2,5-difluorophenyl)ethyl]-1-methylpyrrolidin-3-amine is CC(NC1CCN(C)C1)c1cc(F)ccc1F.
What is the InChIKey of N-[1-(2,5-difluorophenyl)ethyl]-1-methylpyrrolidin-3-amine?
The InChIKey is PTQKHIPDYMQXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-9(16-11-5-6-17(2)8-11)12-7-10(14)3-4-13(12)15/h3-4,7,9,11,16H,5-6,8H2,1-2H3.
What are the key properties of N-[1-(2,5-difluorophenyl)ethyl]-1-methylpyrrolidin-3-amine?
N-[1-(2,5-difluorophenyl)ethyl]-1-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-(2,5-difluorophenyl)ethyl]-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 54949716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).