N-ethyl-1-(4-fluorophenyl)-3-(3-methoxypyrrolidin-1-yl)propan-1-amine

C16H25FN2O — CID 103538885

IUPACN-ethyl-1-(4-fluorophenyl)-3-(3-methoxypyrrolidin-1-yl)propan-1-amine
SMILESCCNC(CCN1CCC(OC)C1)c1ccc(F)cc1
InChIInChI=1S/C16H25FN2O/c1-3-18-16(13-4-6-14(17)7-5-13)9-11-19-10-8-15(12-19)20-2/h4-7,15-16,18H,3,8-12H2,1-2H3
InChIKeyZPYYUFGKRKDUND-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.59
Rot. Bonds7

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

N-ethyl-1-(4-fluorophenyl)-3-(3-methoxypyrrolidin-1-yl)propan-1-amine (PubChem CID 103538885) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is N-ethyl-1-(4-fluorophenyl)-3-(3-methoxypyrrolidin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-fluorophenyl)-3-(3-methoxypyrrolidin-1-yl)propan-1-amine
PubChem CID103538885
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC NameN-ethyl-1-(4-fluorophenyl)-3-(3-methoxypyrrolidin-1-yl)propan-1-amine
SMILESCCNC(CCN1CCC(OC)C1)c1ccc(F)cc1
InChIInChI=1S/C16H25FN2O/c1-3-18-16(13-4-6-14(17)7-5-13)9-11-19-10-8-15(12-19)20-2/h4-7,15-16,18H,3,8-12H2,1-2H3
InChIKeyZPYYUFGKRKDUND-UHFFFAOYSA-N
XLogP2.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluorophenyl)-3-(3-methoxypyrrolidin-1-yl)propan-1-amine?
The IUPAC name of N-ethyl-1-(4-fluorophenyl)-3-(3-methoxypyrrolidin-1-yl)propan-1-amine (CID 103538885) is N-ethyl-1-(4-fluorophenyl)-3-(3-methoxypyrrolidin-1-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-fluorophenyl)-3-(3-methoxypyrrolidin-1-yl)propan-1-amine?
The canonical SMILES for N-ethyl-1-(4-fluorophenyl)-3-(3-methoxypyrrolidin-1-yl)propan-1-amine is CCNC(CCN1CCC(OC)C1)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-1-(4-fluorophenyl)-3-(3-methoxypyrrolidin-1-yl)propan-1-amine?
The InChIKey is ZPYYUFGKRKDUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-3-18-16(13-4-6-14(17)7-5-13)9-11-19-10-8-15(12-19)20-2/h4-7,15-16,18H,3,8-12H2,1-2H3.
What are the key properties of N-ethyl-1-(4-fluorophenyl)-3-(3-methoxypyrrolidin-1-yl)propan-1-amine?
N-ethyl-1-(4-fluorophenyl)-3-(3-methoxypyrrolidin-1-yl)propan-1-amine has a molecular weight of 280.39 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-fluorophenyl)-3-(3-methoxypyrrolidin-1-yl)propan-1-amine is sourced from PubChem (CID 103538885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).