[(3R)-3-aminopyrrolidin-1-yl]-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]methanone;hydrochloride

C15H22ClFN2O3 — CID 119410771

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]methanone;hydrochloride
SMILESCOCCOCc1cc(C(=O)N2CC[C@@H](N)C2)ccc1F.Cl
InChIInChI=1S/C15H21FN2O3.ClH/c1-20-6-7-21-10-12-8-11(2-3-14(12)16)15(19)18-5-4-13(17)9-18;/h2-3,8,13H,4-7,9-10,17H2,1H3;1H/t13-;/m1./s1
InChIKeyAHXQBGGALUKVGH-BTQNPOSSSA-N
MW332.80 g/mol
LogP1.58
Rot. Bonds6

About [(3R)-3-aminopyrrolidin-1-yl]-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]methanone;hydrochloride

[(3R)-3-aminopyrrolidin-1-yl]-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]methanone;hydrochloride (PubChem CID 119410771) has the molecular formula C15H22ClFN2O3 and a molecular weight of 332.80 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]methanone;hydrochloride.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]methanone;hydrochloride
PubChem CID119410771
Molecular FormulaC15H22ClFN2O3
Molecular Weight332.80 g/mol
Exact Mass332.13
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]methanone;hydrochloride
SMILESCOCCOCc1cc(C(=O)N2CC[C@@H](N)C2)ccc1F.Cl
InChIInChI=1S/C15H21FN2O3.ClH/c1-20-6-7-21-10-12-8-11(2-3-14(12)16)15(19)18-5-4-13(17)9-18;/h2-3,8,13H,4-7,9-10,17H2,1H3;1H/t13-;/m1./s1
InChIKeyAHXQBGGALUKVGH-BTQNPOSSSA-N
XLogP1.58
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.80
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]methanone
CID 119410772
3,9-diazabicyclo[4.2.1]nonan-3-yl-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]methanone;hydrochloride
CID 119636598
[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996957
[(3S)-3-aminopyrrolidin-1-yl]-[4-fluoro-3-(methylsulfanylmethyl)phenyl]methanone;hydrochloride
CID 119934365
[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-piperazin-1-ylmethanone
CID 119401463
[(3R)-3-aminopyrrolidin-1-yl]-(3,4-difluorophenyl)methanone;hydrochloride
CID 119412532
[(3R)-3-aminopyrrolidin-1-yl]-(4-fluoro-3-methoxyphenyl)methanone
CID 113282283
[2-(aminomethyl)piperidin-1-yl]-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]methanone
CID 119467493
[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119649914
[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 125420043
[(3S)-3-aminopyrrolidin-1-yl]-(3-bromo-4-fluorophenyl)methanone;hydrochloride
CID 119934528
(3-aminopyrrolidin-1-yl)-(4-fluoro-3-sulfanylphenyl)methanone
CID 107027839

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]methanone;hydrochloride?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]methanone;hydrochloride (CID 119410771) is [(3R)-3-aminopyrrolidin-1-yl]-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]methanone;hydrochloride.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]methanone;hydrochloride?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]methanone;hydrochloride is COCCOCc1cc(C(=O)N2CC[C@@H](N)C2)ccc1F.Cl.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]methanone;hydrochloride?
The InChIKey is AHXQBGGALUKVGH-BTQNPOSSSA-N. The full InChI is InChI=1S/C15H21FN2O3.ClH/c1-20-6-7-21-10-12-8-11(2-3-14(12)16)15(19)18-5-4-13(17)9-18;/h2-3,8,13H,4-7,9-10,17H2,1H3;1H/t13-;/m1./s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]methanone;hydrochloride?
[(3R)-3-aminopyrrolidin-1-yl]-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]methanone;hydrochloride has a molecular weight of 332.80 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]methanone;hydrochloride is sourced from PubChem (CID 119410771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).