2-(3-tert-butylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine

C16H25FN2 — CID 107521966

IUPAC2-(3-tert-butylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine
SMILESCC(C)(C)C1CCN(CC(N)c2ccc(F)cc2)C1
InChIInChI=1S/C16H25FN2/c1-16(2,3)13-8-9-19(10-13)11-15(18)12-4-6-14(17)7-5-12/h4-7,13,15H,8-11,18H2,1-3H3
InChIKeyNCCJGODVOINULF-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.19
Rot. Bonds3

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

2-(3-tert-butylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine (PubChem CID 107521966) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-(3-tert-butylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(3-tert-butylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine
PubChem CID107521966
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name2-(3-tert-butylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine
SMILESCC(C)(C)C1CCN(CC(N)c2ccc(F)cc2)C1
InChIInChI=1S/C16H25FN2/c1-16(2,3)13-8-9-19(10-13)11-15(18)12-4-6-14(17)7-5-12/h4-7,13,15H,8-11,18H2,1-3H3
InChIKeyNCCJGODVOINULF-UHFFFAOYSA-N
XLogP3.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-tert-butylpyrrolidin-1-yl)-1-(3,4-difluorophenyl)ethanamine
CID 107521958
1-[2-amino-2-(4-fluorophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 107521053
1-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16643559
1-(4-fluorophenyl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 107520786
2-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)ethanamine
CID 107520014
2-(4-tert-butylazepan-1-yl)-1-(3-fluorophenyl)ethanamine
CID 107521429
2-(3-ethoxypiperidin-1-yl)-1-(4-fluorophenyl)ethanamine
CID 107520369
1-(4-fluorophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 62645202
2-(4-tert-butylpiperidin-1-yl)-2-(4-fluorophenyl)ethanamine
CID 62089855
N'-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-N'-methylethane-1,2-diamine
CID 107520485
3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-amine
CID 62643869
2-(3-tert-butylpyrrolidin-1-yl)-1-cyclohexylethanamine
CID 104746974

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine?
The IUPAC name of 2-(3-tert-butylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine (CID 107521966) is 2-(3-tert-butylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(3-tert-butylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine?
The canonical SMILES for 2-(3-tert-butylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine is CC(C)(C)C1CCN(CC(N)c2ccc(F)cc2)C1.
What is the InChIKey of 2-(3-tert-butylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine?
The InChIKey is NCCJGODVOINULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-16(2,3)13-8-9-19(10-13)11-15(18)12-4-6-14(17)7-5-12/h4-7,13,15H,8-11,18H2,1-3H3.
What are the key properties of 2-(3-tert-butylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine?
2-(3-tert-butylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine has a molecular weight of 264.39 g/mol, XLogP of 3.19, 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-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 107521966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).