2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-fluorophenyl)acetamide;hydrochloride

C14H21ClFN3O — CID 120772793

IUPAC2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-fluorophenyl)acetamide;hydrochloride
SMILESCC1(CN)CCN(C(C(N)=O)c2ccc(F)cc2)C1.Cl
InChIInChI=1S/C14H20FN3O.ClH/c1-14(8-16)6-7-18(9-14)12(13(17)19)10-2-4-11(15)5-3-10;/h2-5,12H,6-9,16H2,1H3,(H2,17,19);1H
InChIKeyQKKBCBRSCCFEFP-UHFFFAOYSA-N
MW301.79 g/mol
LogP1.44
Rot. Bonds4

About 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-fluorophenyl)acetamide;hydrochloride

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-fluorophenyl)acetamide;hydrochloride (PubChem CID 120772793) has the molecular formula C14H21ClFN3O and a molecular weight of 301.79 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-fluorophenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-fluorophenyl)acetamide;hydrochloride
PubChem CID120772793
Molecular FormulaC14H21ClFN3O
Molecular Weight301.79 g/mol
Exact Mass301.14
IUPAC Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-fluorophenyl)acetamide;hydrochloride
SMILESCC1(CN)CCN(C(C(N)=O)c2ccc(F)cc2)C1.Cl
InChIInChI=1S/C14H20FN3O.ClH/c1-14(8-16)6-7-18(9-14)12(13(17)19)10-2-4-11(15)5-3-10;/h2-5,12H,6-9,16H2,1H3,(H2,17,19);1H
InChIKeyQKKBCBRSCCFEFP-UHFFFAOYSA-N
XLogP1.44
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.79
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[1-(4-fluorophenyl)propyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120771726
[1-[2,2-bis(4-fluorophenyl)ethyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120846909
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone;hydrochloride
CID 120772241
2-(4-fluorophenyl)-2-pyrrolidin-1-ylacetamide
CID 82114619
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 120804363
(2R)-2-(4-fluorophenyl)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]acetamide
CID 95309214
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(4-fluorophenyl)sulfanyl-2-methylpropan-1-one
CID 120808017
[1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120772034
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(4-fluorophenyl)sulfonylbutan-1-one;hydrochloride
CID 120803920
2-(4-ethyl-4-methylpiperidin-1-yl)-2-(4-fluorophenyl)ethanamine
CID 63156191
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone;hydrochloride
CID 120805886
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzhydrylpropanamide
CID 120772324

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-fluorophenyl)acetamide;hydrochloride?
The IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-fluorophenyl)acetamide;hydrochloride (CID 120772793) is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-fluorophenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-fluorophenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-fluorophenyl)acetamide;hydrochloride is CC1(CN)CCN(C(C(N)=O)c2ccc(F)cc2)C1.Cl.
What is the InChIKey of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-fluorophenyl)acetamide;hydrochloride?
The InChIKey is QKKBCBRSCCFEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O.ClH/c1-14(8-16)6-7-18(9-14)12(13(17)19)10-2-4-11(15)5-3-10;/h2-5,12H,6-9,16H2,1H3,(H2,17,19);1H.
What are the key properties of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-fluorophenyl)acetamide;hydrochloride?
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-fluorophenyl)acetamide;hydrochloride has a molecular weight of 301.79 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-fluorophenyl)acetamide;hydrochloride is sourced from PubChem (CID 120772793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).