1-(4-fluorophenyl)-3-(3-methoxypyrrolidin-1-yl)-N-propylpropan-1-amine

C17H27FN2O — CID 103538886

IUPAC1-(4-fluorophenyl)-3-(3-methoxypyrrolidin-1-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCN1CCC(OC)C1)c1ccc(F)cc1
InChIInChI=1S/C17H27FN2O/c1-3-10-19-17(14-4-6-15(18)7-5-14)9-12-20-11-8-16(13-20)21-2/h4-7,16-17,19H,3,8-13H2,1-2H3
InChIKeyAORCYKITHIAZJQ-UHFFFAOYSA-N
MW294.41 g/mol
LogP2.98
Rot. Bonds8

About 1-(4-fluorophenyl)-3-(3-methoxypyrrolidin-1-yl)-N-propylpropan-1-amine

1-(4-fluorophenyl)-3-(3-methoxypyrrolidin-1-yl)-N-propylpropan-1-amine (PubChem CID 103538886) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(3-methoxypyrrolidin-1-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(3-methoxypyrrolidin-1-yl)-N-propylpropan-1-amine
PubChem CID103538886
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name1-(4-fluorophenyl)-3-(3-methoxypyrrolidin-1-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCN1CCC(OC)C1)c1ccc(F)cc1
InChIInChI=1S/C17H27FN2O/c1-3-10-19-17(14-4-6-15(18)7-5-14)9-12-20-11-8-16(13-20)21-2/h4-7,16-17,19H,3,8-13H2,1-2H3
InChIKeyAORCYKITHIAZJQ-UHFFFAOYSA-N
XLogP2.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(3-methoxypyrrolidin-1-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-3-(3-methoxypyrrolidin-1-yl)-N-propylpropan-1-amine (CID 103538886) is 1-(4-fluorophenyl)-3-(3-methoxypyrrolidin-1-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(3-methoxypyrrolidin-1-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-3-(3-methoxypyrrolidin-1-yl)-N-propylpropan-1-amine is CCCNC(CCN1CCC(OC)C1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(3-methoxypyrrolidin-1-yl)-N-propylpropan-1-amine?
The InChIKey is AORCYKITHIAZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-3-10-19-17(14-4-6-15(18)7-5-14)9-12-20-11-8-16(13-20)21-2/h4-7,16-17,19H,3,8-13H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-3-(3-methoxypyrrolidin-1-yl)-N-propylpropan-1-amine?
1-(4-fluorophenyl)-3-(3-methoxypyrrolidin-1-yl)-N-propylpropan-1-amine has a molecular weight of 294.41 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(3-methoxypyrrolidin-1-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 103538886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).