1-[3-[3-(4-fluoro-3-methylphenyl)propoxy]propyl]pyrrolidine

C17H26FNO — CID 11978616

IUPAC1-[3-[3-(4-fluoro-3-methylphenyl)propoxy]propyl]pyrrolidine
SMILESCc1cc(CCCOCCCN2CCCC2)ccc1F
InChIInChI=1S/C17H26FNO/c1-15-14-16(7-8-17(15)18)6-4-12-20-13-5-11-19-9-2-3-10-19/h7-8,14H,2-6,9-13H2,1H3
InChIKeyBMLZEOHBIPQDPG-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.57
Rot. Bonds8

About 1-[3-[3-(4-fluoro-3-methylphenyl)propoxy]propyl]pyrrolidine

1-[3-[3-(4-fluoro-3-methylphenyl)propoxy]propyl]pyrrolidine (PubChem CID 11978616) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-[3-[3-(4-fluoro-3-methylphenyl)propoxy]propyl]pyrrolidine.

Molecular Properties

Compound Name1-[3-[3-(4-fluoro-3-methylphenyl)propoxy]propyl]pyrrolidine
PubChem CID11978616
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name1-[3-[3-(4-fluoro-3-methylphenyl)propoxy]propyl]pyrrolidine
SMILESCc1cc(CCCOCCCN2CCCC2)ccc1F
InChIInChI=1S/C17H26FNO/c1-15-14-16(7-8-17(15)18)6-4-12-20-13-5-11-19-9-2-3-10-19/h7-8,14H,2-6,9-13H2,1H3
InChIKeyBMLZEOHBIPQDPG-UHFFFAOYSA-N
XLogP3.57
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[3-(4-chloro-3-methylphenyl)propoxy]propyl]piperidine
CID 146327178
1-[3-[3-[3-(4-chlorophenyl)propoxy]propoxy]propyl]piperidine
CID 175675428
1-[3-(4-fluoro-3-methylphenyl)propyl]piperazine
CID 82116765
2-methoxy-4-[3-(3-piperidin-1-ylpropoxy)propyl]phenol
CID 11978505
1-[2-(4-fluoro-3-methylphenyl)ethyl]-4-methylpiperazine
CID 136575376
1-[3-[3-(4-chlorophenyl)propoxy]propyl]-4-methylpiperidine
CID 11947991
1-[3-(3-ethenyl-4-fluorophenyl)propyl]pyrrolidine
CID 155420212
1-[3-[4-butyl-2-(3-piperidin-1-ylpropoxy)phenoxy]propyl]piperidine
CID 131729850
2-amino-2-[2-[3-methyl-4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]propane-1,3-diol
CID 70911430
1-[3-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylmethanamine
CID 107686584
2-methyl-N-(2-methylphenyl)-4-(4-pyrrolidin-1-ylbutyl)aniline
CID 22662685
N-[2-(3,4-dimethylphenyl)ethyl]-4-piperidin-1-ylbutan-1-amine
CID 173324718

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(4-fluoro-3-methylphenyl)propoxy]propyl]pyrrolidine?
The IUPAC name of 1-[3-[3-(4-fluoro-3-methylphenyl)propoxy]propyl]pyrrolidine (CID 11978616) is 1-[3-[3-(4-fluoro-3-methylphenyl)propoxy]propyl]pyrrolidine.
What is the SMILES notation for 1-[3-[3-(4-fluoro-3-methylphenyl)propoxy]propyl]pyrrolidine?
The canonical SMILES for 1-[3-[3-(4-fluoro-3-methylphenyl)propoxy]propyl]pyrrolidine is Cc1cc(CCCOCCCN2CCCC2)ccc1F.
What is the InChIKey of 1-[3-[3-(4-fluoro-3-methylphenyl)propoxy]propyl]pyrrolidine?
The InChIKey is BMLZEOHBIPQDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-15-14-16(7-8-17(15)18)6-4-12-20-13-5-11-19-9-2-3-10-19/h7-8,14H,2-6,9-13H2,1H3.
What are the key properties of 1-[3-[3-(4-fluoro-3-methylphenyl)propoxy]propyl]pyrrolidine?
1-[3-[3-(4-fluoro-3-methylphenyl)propoxy]propyl]pyrrolidine has a molecular weight of 279.40 g/mol, XLogP of 3.57, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(4-fluoro-3-methylphenyl)propoxy]propyl]pyrrolidine is sourced from PubChem (CID 11978616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).