1-[3-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylmethanamine

C15H23FN2O — CID 107686584

IUPAC1-[3-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCCCN2CCCC2)c(F)c1
InChIInChI=1S/C15H23FN2O/c1-17-12-13-5-6-15(14(16)11-13)19-10-4-9-18-7-2-3-8-18/h5-6,11,17H,2-4,7-10,12H2,1H3
InChIKeyMZLBQXCWUAPROF-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.41
Rot. Bonds7

About 1-[3-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylmethanamine

1-[3-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylmethanamine (PubChem CID 107686584) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-[3-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylmethanamine
PubChem CID107686584
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name1-[3-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCCCN2CCCC2)c(F)c1
InChIInChI=1S/C15H23FN2O/c1-17-12-13-5-6-15(14(16)11-13)19-10-4-9-18-7-2-3-8-18/h5-6,11,17H,2-4,7-10,12H2,1H3
InChIKeyMZLBQXCWUAPROF-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine
CID 107692963
N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]propan-1-amine
CID 107687146
N-methyl-1-[4-nitro-3-(3-pyrrolidin-1-ylpropoxy)phenyl]methanamine
CID 62116382
1-[2-(2-fluoro-4-propylphenoxy)ethyl]piperidine
CID 91082463
1-[5-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylmethanamine
CID 61493815
4-[2-fluoro-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol
CID 107686703
4-[2-fluoro-4-(methylaminomethyl)phenoxy]butan-2-ol
CID 107686561
1-[4-(cyclopentylmethoxy)-3-fluorophenyl]-N-methylmethanamine
CID 107686421
N-methyl-1-[6-methyl-3-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methanamine
CID 79150803
1-[3-[4-(2-adamantyl)-2-fluorophenoxy]propyl]piperidine
CID 91549016
N-methyl-1-[5-nitro-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methanamine
CID 61493931
4-[3-[4-[3-(4-cyano-2-fluorophenoxy)propyl]piperazin-1-yl]propoxy]-3-fluorobenzonitrile
CID 67135650

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylmethanamine (CID 107686584) is 1-[3-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylmethanamine is CNCc1ccc(OCCCN2CCCC2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylmethanamine?
The InChIKey is MZLBQXCWUAPROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-17-12-13-5-6-15(14(16)11-13)19-10-4-9-18-7-2-3-8-18/h5-6,11,17H,2-4,7-10,12H2,1H3.
What are the key properties of 1-[3-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylmethanamine?
1-[3-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylmethanamine has a molecular weight of 266.36 g/mol, XLogP of 2.41, 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]-N-methylmethanamine is sourced from PubChem (CID 107686584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).