N-[[3-(3,3-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]ethanamine

C15H23FN2 — CID 106532936

IUPACN-[[3-(3,3-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(F)cc(N2CCC(C)(C)C2)c1
InChIInChI=1S/C15H23FN2/c1-4-17-10-12-7-13(16)9-14(8-12)18-6-5-15(2,3)11-18/h7-9,17H,4-6,10-11H2,1-3H3
InChIKeyYWRRAWLXAFZGGV-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.17
Rot. Bonds4

About N-[[3-(3,3-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]ethanamine

N-[[3-(3,3-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]ethanamine (PubChem CID 106532936) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is N-[[3-(3,3-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(3,3-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]ethanamine
PubChem CID106532936
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC NameN-[[3-(3,3-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(F)cc(N2CCC(C)(C)C2)c1
InChIInChI=1S/C15H23FN2/c1-4-17-10-12-7-13(16)9-14(8-12)18-6-5-15(2,3)11-18/h7-9,17H,4-6,10-11H2,1-3H3
InChIKeyYWRRAWLXAFZGGV-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(8-azaspiro[4.5]decan-8-yl)-5-fluorophenyl]methyl]ethanamine
CID 106532441
[3-(3,3-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methanamine
CID 102814167
N-[[3-fluoro-5-(3-methoxypiperidin-1-yl)phenyl]methyl]ethanamine
CID 106533080
1-[4-(ethylaminomethyl)-2,6-difluorophenyl]-3-methylpyrrolidin-3-ol
CID 103356930
N-[[3-fluoro-5-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 106533076
[3-(4,4-diethylpiperidin-1-yl)-5-fluorophenyl]methanol
CID 106529884
2-[3-(4,4-dimethylazepan-1-yl)-5-fluorophenyl]ethanamine
CID 106532861
N-[[3-(2,6-dimethylmorpholin-4-yl)-5-fluorophenyl]methyl]propan-1-amine
CID 106532067
N-[[3-fluoro-5-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]propan-1-amine
CID 106532578
1-[4-[3-fluoro-5-(methylaminomethyl)phenyl]piperazin-1-yl]ethanone
CID 106530754
N-[[3-fluoro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-1-amine
CID 106532892
1-[4-(ethylaminomethyl)phenyl]-4-methylpiperidin-4-ol
CID 81103568

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,3-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]ethanamine?
The IUPAC name of N-[[3-(3,3-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]ethanamine (CID 106532936) is N-[[3-(3,3-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(3,3-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(3,3-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]ethanamine is CCNCc1cc(F)cc(N2CCC(C)(C)C2)c1.
What is the InChIKey of N-[[3-(3,3-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]ethanamine?
The InChIKey is YWRRAWLXAFZGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-4-17-10-12-7-13(16)9-14(8-12)18-6-5-15(2,3)11-18/h7-9,17H,4-6,10-11H2,1-3H3.
What are the key properties of N-[[3-(3,3-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]ethanamine?
N-[[3-(3,3-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]ethanamine has a molecular weight of 250.36 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,3-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]ethanamine is sourced from PubChem (CID 106532936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).