2-(3-tert-butylpyrrolidin-1-yl)-1-(3,4-difluorophenyl)ethanamine

C16H24F2N2 — CID 107521958

IUPAC2-(3-tert-butylpyrrolidin-1-yl)-1-(3,4-difluorophenyl)ethanamine
SMILESCC(C)(C)C1CCN(CC(N)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C16H24F2N2/c1-16(2,3)12-6-7-20(9-12)10-15(19)11-4-5-13(17)14(18)8-11/h4-5,8,12,15H,6-7,9-10,19H2,1-3H3
InChIKeyWZZCCEXWCOMACN-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.33
Rot. Bonds3

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

2-(3-tert-butylpyrrolidin-1-yl)-1-(3,4-difluorophenyl)ethanamine (PubChem CID 107521958) has the molecular formula C16H24F2N2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-(3-tert-butylpyrrolidin-1-yl)-1-(3,4-difluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(3-tert-butylpyrrolidin-1-yl)-1-(3,4-difluorophenyl)ethanamine
PubChem CID107521958
Molecular FormulaC16H24F2N2
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-(3-tert-butylpyrrolidin-1-yl)-1-(3,4-difluorophenyl)ethanamine
SMILESCC(C)(C)C1CCN(CC(N)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C16H24F2N2/c1-16(2,3)12-6-7-20(9-12)10-15(19)11-4-5-13(17)14(18)8-11/h4-5,8,12,15H,6-7,9-10,19H2,1-3H3
InChIKeyWZZCCEXWCOMACN-UHFFFAOYSA-N
XLogP3.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-tert-butylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine
CID 107521966
2-(4-tert-butylazepan-1-yl)-1-(3-fluorophenyl)ethanamine
CID 107521429
1-(3,4-difluorophenyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine
CID 107520951
1-(3-fluoro-4-methoxyphenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine
CID 107521976
1-(3,4-difluorophenyl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanamine
CID 107521582
N'-cycloheptyl-1-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine
CID 107519801
1-[2-amino-2-(4-fluorophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 107521053
2-(3-tert-butylpyrrolidin-1-yl)-1-cyclohexylethanamine
CID 104746974
1-(3-fluoro-4-methoxyphenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
CID 107522241
N'-cyclopentyl-1-(3,4-difluorophenyl)-N'-ethylethane-1,2-diamine
CID 107519650
2-amino-2-(3,4-difluorophenyl)ethanol
CID 22048878
1-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16643559

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylpyrrolidin-1-yl)-1-(3,4-difluorophenyl)ethanamine?
The IUPAC name of 2-(3-tert-butylpyrrolidin-1-yl)-1-(3,4-difluorophenyl)ethanamine (CID 107521958) is 2-(3-tert-butylpyrrolidin-1-yl)-1-(3,4-difluorophenyl)ethanamine.
What is the SMILES notation for 2-(3-tert-butylpyrrolidin-1-yl)-1-(3,4-difluorophenyl)ethanamine?
The canonical SMILES for 2-(3-tert-butylpyrrolidin-1-yl)-1-(3,4-difluorophenyl)ethanamine is CC(C)(C)C1CCN(CC(N)c2ccc(F)c(F)c2)C1.
What is the InChIKey of 2-(3-tert-butylpyrrolidin-1-yl)-1-(3,4-difluorophenyl)ethanamine?
The InChIKey is WZZCCEXWCOMACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2/c1-16(2,3)12-6-7-20(9-12)10-15(19)11-4-5-13(17)14(18)8-11/h4-5,8,12,15H,6-7,9-10,19H2,1-3H3.
What are the key properties of 2-(3-tert-butylpyrrolidin-1-yl)-1-(3,4-difluorophenyl)ethanamine?
2-(3-tert-butylpyrrolidin-1-yl)-1-(3,4-difluorophenyl)ethanamine has a molecular weight of 282.38 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylpyrrolidin-1-yl)-1-(3,4-difluorophenyl)ethanamine is sourced from PubChem (CID 107521958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).