3-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)propan-1-amine

C15H23FN2 — CID 62645120

IUPAC3-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)propan-1-amine
SMILESCCC1CCCN1CCC(N)c1ccc(F)cc1
InChIInChI=1S/C15H23FN2/c1-2-14-4-3-10-18(14)11-9-15(17)12-5-7-13(16)8-6-12/h5-8,14-15H,2-4,9-11,17H2,1H3
InChIKeyYKARPGZQCCOOOB-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.09
Rot. Bonds5

About 3-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)propan-1-amine

3-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)propan-1-amine (PubChem CID 62645120) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 3-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)propan-1-amine
PubChem CID62645120
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name3-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)propan-1-amine
SMILESCCC1CCCN1CCC(N)c1ccc(F)cc1
InChIInChI=1S/C15H23FN2/c1-2-14-4-3-10-18(14)11-9-15(17)12-5-7-13(16)8-6-12/h5-8,14-15H,2-4,9-11,17H2,1H3
InChIKeyYKARPGZQCCOOOB-UHFFFAOYSA-N
XLogP3.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine
CID 107519853
3-(2-ethylazepan-1-yl)-1-phenylpropan-1-amine
CID 104690312
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-(4-fluorophenyl)propan-1-amine
CID 62643800
1-(3-chlorophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-amine
CID 55098305
3-(2-ethylazepan-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 104692034
3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-amine
CID 62643869
1-(2,5-difluorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
CID 107519852
[1-[3-(ethylamino)-3-(4-fluorophenyl)propyl]pyrrolidin-2-yl]methanol
CID 62645062
1-(4-fluorophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 62645202
1-(4-bromophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-ol
CID 62619666
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 83126722
1-(2,5-difluorophenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol
CID 82074393

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)propan-1-amine?
The IUPAC name of 3-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)propan-1-amine (CID 62645120) is 3-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)propan-1-amine.
What is the SMILES notation for 3-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)propan-1-amine?
The canonical SMILES for 3-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)propan-1-amine is CCC1CCCN1CCC(N)c1ccc(F)cc1.
What is the InChIKey of 3-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)propan-1-amine?
The InChIKey is YKARPGZQCCOOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-2-14-4-3-10-18(14)11-9-15(17)12-5-7-13(16)8-6-12/h5-8,14-15H,2-4,9-11,17H2,1H3.
What are the key properties of 3-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)propan-1-amine?
3-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)propan-1-amine has a molecular weight of 250.36 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)propan-1-amine is sourced from PubChem (CID 62645120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).