[2-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride

C12H15Cl2FN2O — CID 119631398

IUPAC[2-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride
SMILESCl.NCC1CCCN1C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C12H14ClFN2O.ClH/c13-8-3-4-10(11(14)6-8)12(17)16-5-1-2-9(16)7-15;/h3-4,6,9H,1-2,5,7,15H2;1H
InChIKeyYFZBNGXKJJYYLU-UHFFFAOYSA-N
MW293.17 g/mol
LogP2.46
Rot. Bonds2

About [2-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride

[2-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride (PubChem CID 119631398) has the molecular formula C12H15Cl2FN2O and a molecular weight of 293.17 g/mol. Its IUPAC name is [2-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride
PubChem CID119631398
Molecular FormulaC12H15Cl2FN2O
Molecular Weight293.17 g/mol
Exact Mass292.05
IUPAC Name[2-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride
SMILESCl.NCC1CCCN1C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C12H14ClFN2O.ClH/c13-8-3-4-10(11(14)6-8)12(17)16-5-1-2-9(16)7-15;/h3-4,6,9H,1-2,5,7,15H2;1H
InChIKeyYFZBNGXKJJYYLU-UHFFFAOYSA-N
XLogP2.46
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone
CID 124517231
[2-(aminomethyl)pyrrolidin-1-yl]-(2,5-difluorophenyl)methanone;hydrochloride
CID 119631884
(4-chloro-2-fluorophenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81484658
[2-(aminomethyl)piperidin-1-yl]-(2-bromo-5-chlorophenyl)methanone;hydrochloride
CID 119469020
[2-(aminomethyl)piperidin-1-yl]-(2-chloro-4,5-difluorophenyl)methanone;hydrochloride
CID 119468475
3-amino-N-[[1-(4-chloro-2-fluorobenzoyl)piperidin-2-yl]methyl]propanamide
CID 120580015
[2-(aminomethyl)piperidin-1-yl]-(2,4-dichloro-5-fluorophenyl)methanone;hydrochloride
CID 119466333
[3-(aminomethyl)piperidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119464843
N-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-4-fluorophenyl]acetamide;hydrochloride
CID 119631292
[2-(aminomethyl)pyrrolidin-1-yl]-(2-chlorophenyl)methanone
CID 81482963
[2-(aminomethyl)pyrrolidin-1-yl]-(2-chloro-4-iodophenyl)methanone
CID 119632203
(2-fluoro-4-hydroxyphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 86819333

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride?
The IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride (CID 119631398) is [2-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride.
What is the SMILES notation for [2-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride?
The canonical SMILES for [2-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride is Cl.NCC1CCCN1C(=O)c1ccc(Cl)cc1F.
What is the InChIKey of [2-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride?
The InChIKey is YFZBNGXKJJYYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O.ClH/c13-8-3-4-10(11(14)6-8)12(17)16-5-1-2-9(16)7-15;/h3-4,6,9H,1-2,5,7,15H2;1H.
What are the key properties of [2-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride?
[2-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride has a molecular weight of 293.17 g/mol, XLogP of 2.46, 2 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]-(4-chloro-2-fluorophenyl)methanone;hydrochloride is sourced from PubChem (CID 119631398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).