4-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]pentan-1-one;hydrochloride

C16H24ClFN2O — CID 120560785

IUPAC4-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]pentan-1-one;hydrochloride
SMILESCC(N)CCC(=O)N1CCCC1Cc1cccc(F)c1.Cl
InChIInChI=1S/C16H23FN2O.ClH/c1-12(18)7-8-16(20)19-9-3-6-15(19)11-13-4-2-5-14(17)10-13;/h2,4-5,10,12,15H,3,6-9,11,18H2,1H3;1H
InChIKeyZYHUVZMGFGKIMP-UHFFFAOYSA-N
MW314.83 g/mol
LogP2.91
Rot. Bonds5

About 4-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]pentan-1-one;hydrochloride

4-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]pentan-1-one;hydrochloride (PubChem CID 120560785) has the molecular formula C16H24ClFN2O and a molecular weight of 314.83 g/mol. Its IUPAC name is 4-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]pentan-1-one;hydrochloride.

Molecular Properties

Compound Name4-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]pentan-1-one;hydrochloride
PubChem CID120560785
Molecular FormulaC16H24ClFN2O
Molecular Weight314.83 g/mol
Exact Mass314.16
IUPAC Name4-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]pentan-1-one;hydrochloride
SMILESCC(N)CCC(=O)N1CCCC1Cc1cccc(F)c1.Cl
InChIInChI=1S/C16H23FN2O.ClH/c1-12(18)7-8-16(20)19-9-3-6-15(19)11-13-4-2-5-14(17)10-13;/h2,4-5,10,12,15H,3,6-9,11,18H2,1H3;1H
InChIKeyZYHUVZMGFGKIMP-UHFFFAOYSA-N
XLogP2.91
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.83
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone;hydrochloride
CID 119296824
4-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-3-methoxybutan-1-one
CID 120589509
1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride
CID 119737074
1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-3-(4-methoxyphenyl)sulfanylpropan-1-one
CID 55805360
1-[2-(aminomethyl)pyrrolidin-1-yl]-4-(3-fluorophenyl)-2-methylbutan-1-one
CID 119631263
3-(4-chlorophenoxy)-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]propan-1-one
CID 55805134
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone
CID 94106652
1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 55808363
1-[2-[(4-bromophenyl)methyl]pyrrolidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 47079509
1-[2-(aminomethyl)piperidin-1-yl]-4-(3-fluorophenyl)-2-methylbutan-1-one;hydrochloride
CID 119466502
[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-(1-methylpyrrol-3-yl)methanone
CID 136515250
1-[(2R)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 94106624

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]pentan-1-one;hydrochloride?
The IUPAC name of 4-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]pentan-1-one;hydrochloride (CID 120560785) is 4-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]pentan-1-one;hydrochloride.
What is the SMILES notation for 4-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]pentan-1-one;hydrochloride?
The canonical SMILES for 4-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]pentan-1-one;hydrochloride is CC(N)CCC(=O)N1CCCC1Cc1cccc(F)c1.Cl.
What is the InChIKey of 4-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]pentan-1-one;hydrochloride?
The InChIKey is ZYHUVZMGFGKIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O.ClH/c1-12(18)7-8-16(20)19-9-3-6-15(19)11-13-4-2-5-14(17)10-13;/h2,4-5,10,12,15H,3,6-9,11,18H2,1H3;1H.
What are the key properties of 4-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]pentan-1-one;hydrochloride?
4-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]pentan-1-one;hydrochloride has a molecular weight of 314.83 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]pentan-1-one;hydrochloride is sourced from PubChem (CID 120560785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).