1-(2,2-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-2-amine

C15H23FN2 — CID 63216311

IUPAC1-(2,2-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-2-amine
SMILESCC(N)C(c1cccc(F)c1)N1CCCC1(C)C
InChIInChI=1S/C15H23FN2/c1-11(17)14(12-6-4-7-13(16)10-12)18-9-5-8-15(18,2)3/h4,6-7,10-11,14H,5,8-9,17H2,1-3H3
InChIKeyXKPCKENVMJMZFR-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.09
Rot. Bonds3

About 1-(2,2-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-2-amine

1-(2,2-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-2-amine (PubChem CID 63216311) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-(2,2-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2,2-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-2-amine
PubChem CID63216311
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name1-(2,2-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-2-amine
SMILESCC(N)C(c1cccc(F)c1)N1CCCC1(C)C
InChIInChI=1S/C15H23FN2/c1-11(17)14(12-6-4-7-13(16)10-12)18-9-5-8-15(18,2)3/h4,6-7,10-11,14H,5,8-9,17H2,1-3H3
InChIKeyXKPCKENVMJMZFR-UHFFFAOYSA-N
XLogP3.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(2,2-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-2-amine (CID 63216311) is 1-(2,2-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(2,2-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(2,2-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-2-amine is CC(N)C(c1cccc(F)c1)N1CCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-2-amine?
The InChIKey is XKPCKENVMJMZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-11(17)14(12-6-4-7-13(16)10-12)18-9-5-8-15(18,2)3/h4,6-7,10-11,14H,5,8-9,17H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-2-amine?
1-(2,2-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-2-amine has a molecular weight of 250.36 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-2-amine is sourced from PubChem (CID 63216311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).