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

C16H25FN2O — CID 115958668

IUPAC1-[3-fluoro-2-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1cccc(F)c1OCCCN1CCCC1
InChIInChI=1S/C16H25FN2O/c1-13(18)12-14-6-4-7-15(17)16(14)20-11-5-10-19-8-2-3-9-19/h4,6-7,13H,2-3,5,8-12,18H2,1H3
InChIKeyCGVNOWMKAPJRID-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.58
Rot. Bonds7

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

1-[3-fluoro-2-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine (PubChem CID 115958668) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-[3-fluoro-2-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-fluoro-2-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine
PubChem CID115958668
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name1-[3-fluoro-2-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1cccc(F)c1OCCCN1CCCC1
InChIInChI=1S/C16H25FN2O/c1-13(18)12-14-6-4-7-15(17)16(14)20-11-5-10-19-8-2-3-9-19/h4,6-7,13H,2-3,5,8-12,18H2,1H3
InChIKeyCGVNOWMKAPJRID-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-fluoro-2-(3-methoxypropoxy)phenyl]propan-2-amine
CID 112615799
1-(3-fluoro-2-octoxyphenyl)propan-2-amine
CID 115958573
1-[2-[3-(dimethylamino)propoxy]-3-fluorophenyl]propan-2-amine
CID 114526348
1-[3-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine
CID 107692963
1-[3-(2-fluoro-6-methoxyphenoxy)propyl]pyrrolidine
CID 135155342
1-[3-fluoro-2-(2-phenylethoxy)phenyl]propan-2-amine
CID 115958617
[3-fluoro-2-(2-piperidin-1-ylethoxy)phenyl]methanol
CID 112613186
2-[2-(2-aminopropyl)-6-fluorophenoxy]acetonitrile
CID 112615861
4-[2-(2-aminopropyl)-6-fluorophenoxy]-2,2-dimethylbutanenitrile
CID 112615925
1-[3-fluoro-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 115958647
1-(2-but-2-ynoxy-3-fluorophenyl)propan-2-amine
CID 112615813
1-[3-methyl-2-(2-morpholin-4-ylethoxy)phenyl]propan-2-amine
CID 115958037

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3-fluoro-2-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine (CID 115958668) is 1-[3-fluoro-2-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-fluoro-2-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-fluoro-2-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine is CC(N)Cc1cccc(F)c1OCCCN1CCCC1.
What is the InChIKey of 1-[3-fluoro-2-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine?
The InChIKey is CGVNOWMKAPJRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-13(18)12-14-6-4-7-15(17)16(14)20-11-5-10-19-8-2-3-9-19/h4,6-7,13H,2-3,5,8-12,18H2,1H3.
What are the key properties of 1-[3-fluoro-2-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine?
1-[3-fluoro-2-(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-2-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine is sourced from PubChem (CID 115958668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).