1-[1-[3-(4-fluorophenoxy)propyl]pyrrolidin-3-yl]-N-methylmethanamine

C15H23FN2O — CID 63263845

IUPAC1-[1-[3-(4-fluorophenoxy)propyl]pyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(CCCOc2ccc(F)cc2)C1
InChIInChI=1S/C15H23FN2O/c1-17-11-13-7-9-18(12-13)8-2-10-19-15-5-3-14(16)4-6-15/h3-6,13,17H,2,7-12H2,1H3
InChIKeyHSAFQTMVZHERGL-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.14
Rot. Bonds7

About 1-[1-[3-(4-fluorophenoxy)propyl]pyrrolidin-3-yl]-N-methylmethanamine

1-[1-[3-(4-fluorophenoxy)propyl]pyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 63263845) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-[1-[3-(4-fluorophenoxy)propyl]pyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[3-(4-fluorophenoxy)propyl]pyrrolidin-3-yl]-N-methylmethanamine
PubChem CID63263845
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name1-[1-[3-(4-fluorophenoxy)propyl]pyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(CCCOc2ccc(F)cc2)C1
InChIInChI=1S/C15H23FN2O/c1-17-11-13-7-9-18(12-13)8-2-10-19-15-5-3-14(16)4-6-15/h3-6,13,17H,2,7-12H2,1H3
InChIKeyHSAFQTMVZHERGL-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
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

N-methyl-1-[1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119921928
1-[3-(4-fluorophenoxy)propyl]-4-[(4-fluorophenyl)methyl]piperidine
CID 10831375
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]methanamine
CID 22390813
1-[3-(4-fluorophenoxy)propyl]-3-methylpiperidin-4-ol
CID 114681363
2-[(6R)-4-[3-(4-fluorophenoxy)propyl]-6-methoxy-1,4-diazepan-1-yl]-N-methylethanamine
CID 174001455
4-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide
CID 63264028
2-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]ethanol
CID 139776336
4-[2-(4-fluorophenoxy)ethyl]-1-pentylpiperidine
CID 54415158
2-(4-fluorophenoxy)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 119538326
4-[2-[3-(methylaminomethyl)piperidin-1-yl]ethoxy]benzonitrile
CID 61203832
2-(4-fluorophenoxy)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119538325
3-(4-fluorophenoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 119395905

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(4-fluorophenoxy)propyl]pyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[3-(4-fluorophenoxy)propyl]pyrrolidin-3-yl]-N-methylmethanamine (CID 63263845) is 1-[1-[3-(4-fluorophenoxy)propyl]pyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[3-(4-fluorophenoxy)propyl]pyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[3-(4-fluorophenoxy)propyl]pyrrolidin-3-yl]-N-methylmethanamine is CNCC1CCN(CCCOc2ccc(F)cc2)C1.
What is the InChIKey of 1-[1-[3-(4-fluorophenoxy)propyl]pyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is HSAFQTMVZHERGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-17-11-13-7-9-18(12-13)8-2-10-19-15-5-3-14(16)4-6-15/h3-6,13,17H,2,7-12H2,1H3.
What are the key properties of 1-[1-[3-(4-fluorophenoxy)propyl]pyrrolidin-3-yl]-N-methylmethanamine?
1-[1-[3-(4-fluorophenoxy)propyl]pyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 266.36 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(4-fluorophenoxy)propyl]pyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 63263845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).