1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine;dihydrochloride

C14H22Cl2F2N2 — CID 75480442

IUPAC1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine;dihydrochloride
SMILESCC(C)(C(N)c1ccc(F)c(F)c1)N1CCCC1.Cl.Cl
InChIInChI=1S/C14H20F2N2.2ClH/c1-14(2,18-7-3-4-8-18)13(17)10-5-6-11(15)12(16)9-10;;/h5-6,9,13H,3-4,7-8,17H2,1-2H3;2*1H
InChIKeyZFTFROMJXRREJI-UHFFFAOYSA-N
MW327.25 g/mol
LogP3.68
Rot. Bonds3

About 1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine;dihydrochloride

1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine;dihydrochloride (PubChem CID 75480442) has the molecular formula C14H22Cl2F2N2 and a molecular weight of 327.25 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine;dihydrochloride.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine;dihydrochloride
PubChem CID75480442
Molecular FormulaC14H22Cl2F2N2
Molecular Weight327.25 g/mol
Exact Mass326.11
IUPAC Name1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine;dihydrochloride
SMILESCC(C)(C(N)c1ccc(F)c(F)c1)N1CCCC1.Cl.Cl
InChIInChI=1S/C14H20F2N2.2ClH/c1-14(2,18-7-3-4-8-18)13(17)10-5-6-11(15)12(16)9-10;;/h5-6,9,13H,3-4,7-8,17H2,1-2H3;2*1H
InChIKeyZFTFROMJXRREJI-UHFFFAOYSA-N
XLogP3.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine;dihydrochloride?
The IUPAC name of 1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine;dihydrochloride (CID 75480442) is 1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine;dihydrochloride.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine;dihydrochloride?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine;dihydrochloride is CC(C)(C(N)c1ccc(F)c(F)c1)N1CCCC1.Cl.Cl.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine;dihydrochloride?
The InChIKey is ZFTFROMJXRREJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2.2ClH/c1-14(2,18-7-3-4-8-18)13(17)10-5-6-11(15)12(16)9-10;;/h5-6,9,13H,3-4,7-8,17H2,1-2H3;2*1H.
What are the key properties of 1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine;dihydrochloride?
1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine;dihydrochloride has a molecular weight of 327.25 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine;dihydrochloride is sourced from PubChem (CID 75480442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).