[2-(aminomethyl)pyrrolidin-1-yl]-[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]methanone;hydrochloride

C19H21ClF2N2O — CID 119632720

IUPAC[2-(aminomethyl)pyrrolidin-1-yl]-[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]methanone;hydrochloride
SMILESCc1cc(F)ccc1-c1ccc(C(=O)N2CCCC2CN)cc1F.Cl
InChIInChI=1S/C19H20F2N2O.ClH/c1-12-9-14(20)5-7-16(12)17-6-4-13(10-18(17)21)19(24)23-8-2-3-15(23)11-22;/h4-7,9-10,15H,2-3,8,11,22H2,1H3;1H
InChIKeyOGCSVSZRGQANEC-UHFFFAOYSA-N
MW366.84 g/mol
LogP3.93
Rot. Bonds3

About [2-(aminomethyl)pyrrolidin-1-yl]-[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]methanone;hydrochloride

[2-(aminomethyl)pyrrolidin-1-yl]-[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]methanone;hydrochloride (PubChem CID 119632720) has the molecular formula C19H21ClF2N2O and a molecular weight of 366.84 g/mol. Its IUPAC name is [2-(aminomethyl)pyrrolidin-1-yl]-[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]methanone;hydrochloride.

Molecular Properties

Compound Name[2-(aminomethyl)pyrrolidin-1-yl]-[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]methanone;hydrochloride
PubChem CID119632720
Molecular FormulaC19H21ClF2N2O
Molecular Weight366.84 g/mol
Exact Mass366.13
IUPAC Name[2-(aminomethyl)pyrrolidin-1-yl]-[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]methanone;hydrochloride
SMILESCc1cc(F)ccc1-c1ccc(C(=O)N2CCCC2CN)cc1F.Cl
InChIInChI=1S/C19H20F2N2O.ClH/c1-12-9-14(20)5-7-16(12)17-6-4-13(10-18(17)21)19(24)23-8-2-3-15(23)11-22;/h4-7,9-10,15H,2-3,8,11,22H2,1H3;1H
InChIKeyOGCSVSZRGQANEC-UHFFFAOYSA-N
XLogP3.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.84
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-(aminomethyl)pyrrolidin-1-yl]-[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]methanone;hydrochloride with MolForge

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Related Compounds

[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromo-3-fluorophenyl)methanone;hydrochloride
CID 119631409
[2-(aminomethyl)pyrrolidin-1-yl]-(2,5-difluorophenyl)methanone;hydrochloride
CID 119631884
1-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]piperidine-3-carboxylic acid
CID 119167628
[2-(aminomethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 55210990
[2-(aminomethyl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone;hydrochloride
CID 119468153
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(3-fluoro-5-methylphenyl)methanone
CID 124576168
5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-(4-fluorophenyl)-2-methylbenzenesulfonamide;hydrochloride
CID 119633999
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 95357681
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanone
CID 124595459
[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]-piperazin-1-ylmethanone
CID 119401901
[2-(aminomethyl)pyrrolidin-1-yl]-(4-methylsulfanylphenyl)methanone;hydrochloride
CID 119630987
[(2R)-2-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 124576129

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]methanone;hydrochloride?
The IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]methanone;hydrochloride (CID 119632720) is [2-(aminomethyl)pyrrolidin-1-yl]-[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]methanone;hydrochloride.
What is the SMILES notation for [2-(aminomethyl)pyrrolidin-1-yl]-[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]methanone;hydrochloride?
The canonical SMILES for [2-(aminomethyl)pyrrolidin-1-yl]-[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]methanone;hydrochloride is Cc1cc(F)ccc1-c1ccc(C(=O)N2CCCC2CN)cc1F.Cl.
What is the InChIKey of [2-(aminomethyl)pyrrolidin-1-yl]-[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]methanone;hydrochloride?
The InChIKey is OGCSVSZRGQANEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O.ClH/c1-12-9-14(20)5-7-16(12)17-6-4-13(10-18(17)21)19(24)23-8-2-3-15(23)11-22;/h4-7,9-10,15H,2-3,8,11,22H2,1H3;1H.
What are the key properties of [2-(aminomethyl)pyrrolidin-1-yl]-[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]methanone;hydrochloride?
[2-(aminomethyl)pyrrolidin-1-yl]-[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]methanone;hydrochloride has a molecular weight of 366.84 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)pyrrolidin-1-yl]-[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]methanone;hydrochloride is sourced from PubChem (CID 119632720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).