1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]methanamine

C21H27FN2O — CID 51628103

IUPAC1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]methanamine
SMILESCCN1CCC[C@H]1CNCc1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C21H27FN2O/c1-2-24-12-4-6-20(24)15-23-14-18-5-3-7-21(13-18)25-16-17-8-10-19(22)11-9-17/h3,5,7-11,13,20,23H,2,4,6,12,14-16H2,1H3/t20-/m0/s1
InChIKeyFCQJFWPHRQBNOJ-FQEVSTJZSA-N
MW342.46 g/mol
LogP3.98
Rot. Bonds8

About 1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]methanamine

1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]methanamine (PubChem CID 51628103) has the molecular formula C21H27FN2O and a molecular weight of 342.46 g/mol. Its IUPAC name is 1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]methanamine
PubChem CID51628103
Molecular FormulaC21H27FN2O
Molecular Weight342.46 g/mol
Exact Mass342.21
IUPAC Name1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]methanamine
SMILESCCN1CCC[C@H]1CNCc1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C21H27FN2O/c1-2-24-12-4-6-20(24)15-23-14-18-5-3-7-21(13-18)25-16-17-8-10-19(22)11-9-17/h3,5,7-11,13,20,23H,2,4,6,12,14-16H2,1H3/t20-/m0/s1
InChIKeyFCQJFWPHRQBNOJ-FQEVSTJZSA-N
XLogP3.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]methanamine with MolForge

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Related Compounds

1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]methanamine
CID 51986497
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]methanamine
CID 51628113
1-(1-ethylpyrrolidin-2-yl)-N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]methanamine
CID 17213818
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(3-propoxyphenyl)methyl]methanamine
CID 29241340
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-fluorophenyl)methyl]methanamine
CID 51627868
2-[3-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]phenoxy]acetonitrile
CID 43764758
N-[(3-chloro-4-phenylmethoxyphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 17215964
N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine;dihydrochloride
CID 17213859
N-[(3-bromophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 17213784
N-[(3-ethoxyphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 113227158
N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine;dihydrochloride
CID 17215935
N-[(3,4-diethoxyphenyl)methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine
CID 51628283

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]methanamine?
The IUPAC name of 1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]methanamine (CID 51628103) is 1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]methanamine.
What is the SMILES notation for 1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]methanamine?
The canonical SMILES for 1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]methanamine is CCN1CCC[C@H]1CNCc1cccc(OCc2ccc(F)cc2)c1.
What is the InChIKey of 1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]methanamine?
The InChIKey is FCQJFWPHRQBNOJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H27FN2O/c1-2-24-12-4-6-20(24)15-23-14-18-5-3-7-21(13-18)25-16-17-8-10-19(22)11-9-17/h3,5,7-11,13,20,23H,2,4,6,12,14-16H2,1H3/t20-/m0/s1.
What are the key properties of 1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]methanamine?
1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]methanamine has a molecular weight of 342.46 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]methanamine is sourced from PubChem (CID 51628103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).