1-[3-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine

C16H25FN2O — CID 107692963

IUPAC1-[3-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCCCN2CCCC2)c(F)c1
InChIInChI=1S/C16H25FN2O/c1-13(18)11-14-5-6-16(15(17)12-14)20-10-4-9-19-7-2-3-8-19/h5-6,12-13H,2-4,7-11,18H2,1H3
InChIKeyZZILWQFXISVCHE-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.58
Rot. Bonds7

About 1-[3-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine

1-[3-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine (PubChem CID 107692963) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-[3-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine
PubChem CID107692963
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name1-[3-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCCCN2CCCC2)c(F)c1
InChIInChI=1S/C16H25FN2O/c1-13(18)11-14-5-6-16(15(17)12-14)20-10-4-9-19-7-2-3-8-19/h5-6,12-13H,2-4,7-11,18H2,1H3
InChIKeyZZILWQFXISVCHE-UHFFFAOYSA-N
XLogP2.58
TPSA38.49 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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine
CID 61494131
1-[3-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylmethanamine
CID 107686584
1-(3-fluoro-4-hexoxyphenyl)propan-2-amine
CID 107693191
1-(3-fluoro-4-nonoxyphenyl)propan-2-amine
CID 107693028
1-[3-fluoro-2-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine
CID 115958668
1-[3-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]propan-2-amine
CID 107693186
2-[4-(2-aminopropyl)-2-fluorophenoxy]acetamide
CID 107693025
1-[2-(2-fluoro-4-propylphenoxy)ethyl]piperidine
CID 91082463
1-[3-fluoro-4-[2-(3-methylbutoxy)ethoxy]phenyl]propan-2-amine
CID 107693080
1-[5-chloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-amine
CID 54928974
N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]propan-1-amine
CID 107687146
1-(3-fluoro-4-phenylmethoxyphenyl)propan-2-amine
CID 23037612

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine (CID 107692963) is 1-[3-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine is CC(N)Cc1ccc(OCCCN2CCCC2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine?
The InChIKey is ZZILWQFXISVCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-13(18)11-14-5-6-16(15(17)12-14)20-10-4-9-19-7-2-3-8-19/h5-6,12-13H,2-4,7-11,18H2,1H3.
What are the key properties of 1-[3-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine?
1-[3-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine has a molecular weight of 280.39 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine is sourced from PubChem (CID 107692963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).