2-[[3-(3,5-difluorophenyl)phenyl]methyl]pyrrolidin-3-amine;propane

C20H26F2N2 — CID 142524736

IUPAC2-[[3-(3,5-difluorophenyl)phenyl]methyl]pyrrolidin-3-amine;propane
SMILESCCC.NC1CCNC1Cc1cccc(-c2cc(F)cc(F)c2)c1
InChIInChI=1S/C17H18F2N2.C3H8/c18-14-8-13(9-15(19)10-14)12-3-1-2-11(6-12)7-17-16(20)4-5-21-17;1-3-2/h1-3,6,8-10,16-17,21H,4-5,7,20H2;3H2,1-2H3
InChIKeyUPZQKADBOPIFQE-UHFFFAOYSA-N
MW332.44 g/mol
LogP4.28
Rot. Bonds3

About 2-[[3-(3,5-difluorophenyl)phenyl]methyl]pyrrolidin-3-amine;propane

2-[[3-(3,5-difluorophenyl)phenyl]methyl]pyrrolidin-3-amine;propane (PubChem CID 142524736) has the molecular formula C20H26F2N2 and a molecular weight of 332.44 g/mol. Its IUPAC name is 2-[[3-(3,5-difluorophenyl)phenyl]methyl]pyrrolidin-3-amine;propane.

Molecular Properties

Compound Name2-[[3-(3,5-difluorophenyl)phenyl]methyl]pyrrolidin-3-amine;propane
PubChem CID142524736
Molecular FormulaC20H26F2N2
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name2-[[3-(3,5-difluorophenyl)phenyl]methyl]pyrrolidin-3-amine;propane
SMILESCCC.NC1CCNC1Cc1cccc(-c2cc(F)cc(F)c2)c1
InChIInChI=1S/C17H18F2N2.C3H8/c18-14-8-13(9-15(19)10-14)12-3-1-2-11(6-12)7-17-16(20)4-5-21-17;1-3-2/h1-3,6,8-10,16-17,21H,4-5,7,20H2;3H2,1-2H3
InChIKeyUPZQKADBOPIFQE-UHFFFAOYSA-N
XLogP4.28
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3,5-difluorophenyl)phenyl]methyl]pyrrolidin-3-amine;propane?
The IUPAC name of 2-[[3-(3,5-difluorophenyl)phenyl]methyl]pyrrolidin-3-amine;propane (CID 142524736) is 2-[[3-(3,5-difluorophenyl)phenyl]methyl]pyrrolidin-3-amine;propane.
What is the SMILES notation for 2-[[3-(3,5-difluorophenyl)phenyl]methyl]pyrrolidin-3-amine;propane?
The canonical SMILES for 2-[[3-(3,5-difluorophenyl)phenyl]methyl]pyrrolidin-3-amine;propane is CCC.NC1CCNC1Cc1cccc(-c2cc(F)cc(F)c2)c1.
What is the InChIKey of 2-[[3-(3,5-difluorophenyl)phenyl]methyl]pyrrolidin-3-amine;propane?
The InChIKey is UPZQKADBOPIFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2.C3H8/c18-14-8-13(9-15(19)10-14)12-3-1-2-11(6-12)7-17-16(20)4-5-21-17;1-3-2/h1-3,6,8-10,16-17,21H,4-5,7,20H2;3H2,1-2H3.
What are the key properties of 2-[[3-(3,5-difluorophenyl)phenyl]methyl]pyrrolidin-3-amine;propane?
2-[[3-(3,5-difluorophenyl)phenyl]methyl]pyrrolidin-3-amine;propane has a molecular weight of 332.44 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3,5-difluorophenyl)phenyl]methyl]pyrrolidin-3-amine;propane is sourced from PubChem (CID 142524736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).