2-(3,3-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanamine

C14H21FN2 — CID 114058293

IUPAC2-(3,3-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanamine
SMILESCC1(C)CCN(CC(N)c2ccccc2F)C1
InChIInChI=1S/C14H21FN2/c1-14(2)7-8-17(10-14)9-13(16)11-5-3-4-6-12(11)15/h3-6,13H,7-10,16H2,1-2H3
InChIKeyXAUYZVRIZQBKRR-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.56
Rot. Bonds3

About 2-(3,3-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanamine

2-(3,3-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanamine (PubChem CID 114058293) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 2-(3,3-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(3,3-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanamine
PubChem CID114058293
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name2-(3,3-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanamine
SMILESCC1(C)CCN(CC(N)c2ccccc2F)C1
InChIInChI=1S/C14H21FN2/c1-14(2)7-8-17(10-14)9-13(16)11-5-3-4-6-12(11)15/h3-6,13H,7-10,16H2,1-2H3
InChIKeyXAUYZVRIZQBKRR-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4,4-dimethylazepan-1-yl)-1-(2-fluorophenyl)propan-1-amine
CID 65281767
1-(2-fluorophenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine
CID 114058299
2-(3,3-diethylpyrrolidin-1-yl)-1-(2,5-difluorophenyl)ethanamine
CID 107521756
3-(3,3-diethylpyrrolidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-amine
CID 115997005
1-(2-fluorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-1-amine
CID 107395164
2-(3,3-dimethylpyrrolidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 115291360
1-(2-fluorophenyl)propan-1-amine
CID 18439474
(1S)-1-(2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 66516599
(1R)-1-(2-fluorophenyl)-2-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]ethanol
CID 97326203
2-(3,3-dimethylpyrrolidin-1-yl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 111565203
2-(2-ethylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanamine
CID 114058265
(1S)-1-[2-(3,3-dimethylpyrrolidin-1-yl)phenyl]propan-1-amine
CID 103959036

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanamine?
The IUPAC name of 2-(3,3-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanamine (CID 114058293) is 2-(3,3-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(3,3-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanamine?
The canonical SMILES for 2-(3,3-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanamine is CC1(C)CCN(CC(N)c2ccccc2F)C1.
What is the InChIKey of 2-(3,3-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanamine?
The InChIKey is XAUYZVRIZQBKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-14(2)7-8-17(10-14)9-13(16)11-5-3-4-6-12(11)15/h3-6,13H,7-10,16H2,1-2H3.
What are the key properties of 2-(3,3-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanamine?
2-(3,3-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanamine has a molecular weight of 236.33 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 114058293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).