[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-fluorophenyl)methanone

C13H17FN2O — CID 120804363

IUPAC[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-fluorophenyl)methanone
SMILESCC1(CN)CCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C13H17FN2O/c1-13(8-15)6-7-16(9-13)12(17)10-2-4-11(14)5-3-10/h2-5H,6-9,15H2,1H3
InChIKeyLJOZJPIRNCMPHI-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.64
Rot. Bonds2

About [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-fluorophenyl)methanone

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 120804363) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-fluorophenyl)methanone
PubChem CID120804363
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-fluorophenyl)methanone
SMILESCC1(CN)CCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C13H17FN2O/c1-13(8-15)6-7-16(9-13)12(17)10-2-4-11(14)5-3-10/h2-5H,6-9,15H2,1H3
InChIKeyLJOZJPIRNCMPHI-UHFFFAOYSA-N
XLogP1.64
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]propan-1-one
CID 120807183
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[4-(difluoromethylsulfanyl)phenyl]methanone
CID 120807609
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-butoxyphenyl)methanone;hydrochloride
CID 120808706
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-fluoro-2-iodophenyl)methanone;hydrochloride
CID 120806444
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanone;dihydrochloride
CID 120807046
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone;hydrochloride
CID 120805886
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(4-fluorophenyl)pyrazol-3-yl]methanone
CID 120804017
3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N-(4-fluorophenyl)benzenesulfonamide
CID 120806019
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3,5-dimethylphenyl)methanone;hydrochloride
CID 120804378
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3,5-bis(trifluoromethyl)phenyl]methanone
CID 120805991
N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 120804908
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,3-difluorophenyl)methanone
CID 120805675

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-fluorophenyl)methanone (CID 120804363) is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-fluorophenyl)methanone is CC1(CN)CCN(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is LJOZJPIRNCMPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-13(8-15)6-7-16(9-13)12(17)10-2-4-11(14)5-3-10/h2-5H,6-9,15H2,1H3.
What are the key properties of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-fluorophenyl)methanone?
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 236.29 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 120804363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).