1-[2-amino-2-(4-fluorophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine

C14H22FN3 — CID 107521053

IUPAC1-[2-amino-2-(4-fluorophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(CC(N)c2ccc(F)cc2)C1
InChIInChI=1S/C14H22FN3/c1-17(2)13-7-8-18(9-13)10-14(16)11-3-5-12(15)6-4-11/h3-6,13-14H,7-10,16H2,1-2H3
InChIKeyLOVSQSHFQIABMI-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.46
Rot. Bonds4

About 1-[2-amino-2-(4-fluorophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine

1-[2-amino-2-(4-fluorophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 107521053) has the molecular formula C14H22FN3 and a molecular weight of 251.35 g/mol. Its IUPAC name is 1-[2-amino-2-(4-fluorophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-amino-2-(4-fluorophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID107521053
Molecular FormulaC14H22FN3
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC Name1-[2-amino-2-(4-fluorophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(CC(N)c2ccc(F)cc2)C1
InChIInChI=1S/C14H22FN3/c1-17(2)13-7-8-18(9-13)10-14(16)11-3-5-12(15)6-4-11/h3-6,13-14H,7-10,16H2,1-2H3
InChIKeyLOVSQSHFQIABMI-UHFFFAOYSA-N
XLogP1.46
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63164076
1-[2-amino-2-(4-propan-2-yloxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63164252
1-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16643559
2-(3-tert-butylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine
CID 107521966
1-[2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63163944
2-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)ethanamine
CID 107520014
N'-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-N'-methylethane-1,2-diamine
CID 107520485
1-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 107521048
1-(4-fluorophenyl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 107520786
1-[3-amino-3-(4-chlorophenyl)propyl]-N,N-dimethylpyrrolidin-3-amine
CID 55159528
1-(2-amino-2-naphthalen-1-ylethyl)-N,N-dimethylpyrrolidin-3-amine
CID 63163943
2-(3-ethoxypiperidin-1-yl)-1-(4-fluorophenyl)ethanamine
CID 107520369

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(4-fluorophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-amino-2-(4-fluorophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine (CID 107521053) is 1-[2-amino-2-(4-fluorophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-amino-2-(4-fluorophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-amino-2-(4-fluorophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine is CN(C)C1CCN(CC(N)c2ccc(F)cc2)C1.
What is the InChIKey of 1-[2-amino-2-(4-fluorophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is LOVSQSHFQIABMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3/c1-17(2)13-7-8-18(9-13)10-14(16)11-3-5-12(15)6-4-11/h3-6,13-14H,7-10,16H2,1-2H3.
What are the key properties of 1-[2-amino-2-(4-fluorophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
1-[2-amino-2-(4-fluorophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 251.35 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-(4-fluorophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 107521053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).