2-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone;hydrochloride

C13H18ClFN2O — CID 119296824

IUPAC2-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone;hydrochloride
SMILESCl.NCC(=O)N1CCCC1Cc1cccc(F)c1
InChIInChI=1S/C13H17FN2O.ClH/c14-11-4-1-3-10(7-11)8-12-5-2-6-16(12)13(17)9-15;/h1,3-4,7,12H,2,5-6,8-9,15H2;1H
InChIKeyMOWQTBZFPILGIG-UHFFFAOYSA-N
MW272.75 g/mol
LogP1.74
Rot. Bonds3

About 2-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone;hydrochloride

2-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone;hydrochloride (PubChem CID 119296824) has the molecular formula C13H18ClFN2O and a molecular weight of 272.75 g/mol. Its IUPAC name is 2-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone;hydrochloride
PubChem CID119296824
Molecular FormulaC13H18ClFN2O
Molecular Weight272.75 g/mol
Exact Mass272.11
IUPAC Name2-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone;hydrochloride
SMILESCl.NCC(=O)N1CCCC1Cc1cccc(F)c1
InChIInChI=1S/C13H17FN2O.ClH/c14-11-4-1-3-10(7-11)8-12-5-2-6-16(12)13(17)9-15;/h1,3-4,7,12H,2,5-6,8-9,15H2;1H
InChIKeyMOWQTBZFPILGIG-UHFFFAOYSA-N
XLogP1.74
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
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1-[2-[(4-bromophenyl)methyl]pyrrolidin-1-yl]-2-(3-fluorophenyl)ethanone
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1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride
CID 119737074
1-[(2R)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
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3-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]propanoic acid
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[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-naphthalen-1-ylmethanone
CID 71880144
1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-3-(4-methoxyphenyl)sulfanylpropan-1-one
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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone;hydrochloride (CID 119296824) is 2-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone;hydrochloride is Cl.NCC(=O)N1CCCC1Cc1cccc(F)c1.
What is the InChIKey of 2-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone;hydrochloride?
The InChIKey is MOWQTBZFPILGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O.ClH/c14-11-4-1-3-10(7-11)8-12-5-2-6-16(12)13(17)9-15;/h1,3-4,7,12H,2,5-6,8-9,15H2;1H.
What are the key properties of 2-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone;hydrochloride?
2-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone;hydrochloride has a molecular weight of 272.75 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 119296824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).