2-(3,4-difluorophenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine

C13H18F2N2 — CID 61225182

IUPAC2-(3,4-difluorophenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine
SMILESCC1CCN(C(CN)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C13H18F2N2/c1-9-4-5-17(8-9)13(7-16)10-2-3-11(14)12(15)6-10/h2-3,6,9,13H,4-5,7-8,16H2,1H3
InChIKeyLCVIQLCXMFIKPF-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.31
Rot. Bonds3

About 2-(3,4-difluorophenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine

2-(3,4-difluorophenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine (PubChem CID 61225182) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine
PubChem CID61225182
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name2-(3,4-difluorophenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine
SMILESCC1CCN(C(CN)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C13H18F2N2/c1-9-4-5-17(8-9)13(7-16)10-2-3-11(14)12(15)6-10/h2-3,6,9,13H,4-5,7-8,16H2,1H3
InChIKeyLCVIQLCXMFIKPF-UHFFFAOYSA-N
XLogP2.31
TPSA29.26 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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102964877
2-(4-bromo-3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 81436946
2-(3,4-difluorophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine
CID 62988466
2-(3,4-difluorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine
CID 103531860
2-(3,4-difluorophenyl)-2-(2-ethylmorpholin-4-yl)ethanamine
CID 43562470
2-(4-ethoxyphenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine
CID 61224408
2-(3,5-dimethylpiperidin-1-yl)-2-(3-fluoro-4-methylphenyl)ethanamine
CID 63645052
2-(3,4-difluorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 54881927
2-(3-methylpyrrolidin-1-yl)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanamine
CID 61225963
2-(3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16793952
2-(furan-3-yl)-2-(3-methylpyrrolidin-1-yl)ethanamine
CID 63208703
2-(2,3-difluorophenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine
CID 63669105

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-(3,4-difluorophenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine (CID 61225182) is 2-(3,4-difluorophenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(3,4-difluorophenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine is CC1CCN(C(CN)c2ccc(F)c(F)c2)C1.
What is the InChIKey of 2-(3,4-difluorophenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine?
The InChIKey is LCVIQLCXMFIKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-9-4-5-17(8-9)13(7-16)10-2-3-11(14)12(15)6-10/h2-3,6,9,13H,4-5,7-8,16H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine?
2-(3,4-difluorophenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine has a molecular weight of 240.30 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 61225182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).