2-(2,2-dimethylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine

C14H21FN2 — CID 107521139

IUPAC2-(2,2-dimethylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine
SMILESCC1(C)CCCN1CC(N)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2/c1-14(2)8-3-9-17(14)10-13(16)11-4-6-12(15)7-5-11/h4-7,13H,3,8-10,16H2,1-2H3
InChIKeyICMFWYFLMXUVNR-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.70
Rot. Bonds3

About 2-(2,2-dimethylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine

2-(2,2-dimethylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine (PubChem CID 107521139) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 2-(2,2-dimethylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(2,2-dimethylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine
PubChem CID107521139
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name2-(2,2-dimethylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine
SMILESCC1(C)CCCN1CC(N)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2/c1-14(2)8-3-9-17(14)10-13(16)11-4-6-12(15)7-5-11/h4-7,13H,3,8-10,16H2,1-2H3
InChIKeyICMFWYFLMXUVNR-UHFFFAOYSA-N
XLogP2.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107522247
2-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methoxyphenyl)ethanamine
CID 55161156
3-(4,4-dimethylazepan-1-yl)-1-(4-fluorophenyl)propan-1-amine
CID 65281721
1-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16643559
2-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine
CID 107519853
2-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(4-propan-2-ylphenyl)ethanamine
CID 63469155
2-(3,3-dimethylmorpholin-4-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 61432961
3-(2,2-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 112679767
1-(3-bromo-2-phenylpropyl)-2,2-dimethylpyrrolidine
CID 65015121
2-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)ethanamine
CID 107520014
4-(2,2-dimethylpyrrolidin-1-yl)-1-(4-fluorophenyl)butan-1-one
CID 55162900
1-(3,4-dimethylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)-N-methylethanamine
CID 63220037

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine?
The IUPAC name of 2-(2,2-dimethylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine (CID 107521139) is 2-(2,2-dimethylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(2,2-dimethylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine?
The canonical SMILES for 2-(2,2-dimethylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine is CC1(C)CCCN1CC(N)c1ccc(F)cc1.
What is the InChIKey of 2-(2,2-dimethylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine?
The InChIKey is ICMFWYFLMXUVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-14(2)8-3-9-17(14)10-13(16)11-4-6-12(15)7-5-11/h4-7,13H,3,8-10,16H2,1-2H3.
What are the key properties of 2-(2,2-dimethylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine?
2-(2,2-dimethylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine has a molecular weight of 236.33 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 107521139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).