1-[1-(2,5-difluorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride

C12H17ClF2N2 — CID 119917481

IUPAC1-[1-(2,5-difluorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride
SMILESCC(c1cc(F)ccc1F)N1CCC(N)C1.Cl
InChIInChI=1S/C12H16F2N2.ClH/c1-8(16-5-4-10(15)7-16)11-6-9(13)2-3-12(11)14;/h2-3,6,8,10H,4-5,7,15H2,1H3;1H
InChIKeyOUNPEGCEFNCDRX-UHFFFAOYSA-N
MW262.73 g/mol
LogP2.48
Rot. Bonds2

About 1-[1-(2,5-difluorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride

1-[1-(2,5-difluorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 119917481) has the molecular formula C12H17ClF2N2 and a molecular weight of 262.73 g/mol. Its IUPAC name is 1-[1-(2,5-difluorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[1-(2,5-difluorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride
PubChem CID119917481
Molecular FormulaC12H17ClF2N2
Molecular Weight262.73 g/mol
Exact Mass262.10
IUPAC Name1-[1-(2,5-difluorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride
SMILESCC(c1cc(F)ccc1F)N1CCC(N)C1.Cl
InChIInChI=1S/C12H16F2N2.ClH/c1-8(16-5-4-10(15)7-16)11-6-9(13)2-3-12(11)14;/h2-3,6,8,10H,4-5,7,15H2,1H3;1H
InChIKeyOUNPEGCEFNCDRX-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.73
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[(1R)-1-(2,5-difluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124512163
1-[1-(2,5-difluorophenyl)ethyl]piperidin-3-ol
CID 110900453
1-[1-(4-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119917726
[4-[1-(2,5-difluorophenyl)ethyl]morpholin-2-yl]methanamine
CID 114394882
2-[1-(3-ethylpyrrolidin-1-yl)ethyl]-4-fluorophenol
CID 113419566
2-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728118
(3R)-1-[1-(3-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119905419
4-fluoro-2-[1-(3-methylpyrrolidin-1-yl)ethyl]phenol
CID 82982569
2-[1-[1-(2,5-difluorophenyl)ethyl]piperidin-4-yl]oxyacetic acid
CID 65066035
1-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine;hydrochloride
CID 119917520
1-[1-(2,4-difluorophenyl)ethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904479
[(3R,4R)-1-[1-(2,5-difluorophenyl)ethyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120758912

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-difluorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-[1-(2,5-difluorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride (CID 119917481) is 1-[1-(2,5-difluorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[1-(2,5-difluorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-[1-(2,5-difluorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride is CC(c1cc(F)ccc1F)N1CCC(N)C1.Cl.
What is the InChIKey of 1-[1-(2,5-difluorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is OUNPEGCEFNCDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2.ClH/c1-8(16-5-4-10(15)7-16)11-6-9(13)2-3-12(11)14;/h2-3,6,8,10H,4-5,7,15H2,1H3;1H.
What are the key properties of 1-[1-(2,5-difluorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride?
1-[1-(2,5-difluorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 262.73 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-difluorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119917481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).