[5-[2-(2,2-difluoroethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine

C14H20F2N2 — CID 117389264

IUPAC[5-[2-(2,2-difluoroethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
SMILESCN1CC(CN)CC1c1ccccc1CC(F)F
InChIInChI=1S/C14H20F2N2/c1-18-9-10(8-17)6-13(18)12-5-3-2-4-11(12)7-14(15)16/h2-5,10,13-14H,6-9,17H2,1H3
InChIKeyBIEKTKPLWVJOAK-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.45
Rot. Bonds4

About [5-[2-(2,2-difluoroethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine

[5-[2-(2,2-difluoroethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 117389264) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is [5-[2-(2,2-difluoroethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-[2-(2,2-difluoroethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
PubChem CID117389264
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name[5-[2-(2,2-difluoroethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
SMILESCN1CC(CN)CC1c1ccccc1CC(F)F
InChIInChI=1S/C14H20F2N2/c1-18-9-10(8-17)6-13(18)12-5-3-2-4-11(12)7-14(15)16/h2-5,10,13-14H,6-9,17H2,1H3
InChIKeyBIEKTKPLWVJOAK-UHFFFAOYSA-N
XLogP2.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-[2-(2,2-difluoroethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [5-[2-(2,2-difluoroethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine (CID 117389264) is [5-[2-(2,2-difluoroethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-[2-(2,2-difluoroethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-[2-(2,2-difluoroethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine is CN1CC(CN)CC1c1ccccc1CC(F)F.
What is the InChIKey of [5-[2-(2,2-difluoroethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is BIEKTKPLWVJOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-18-9-10(8-17)6-13(18)12-5-3-2-4-11(12)7-14(15)16/h2-5,10,13-14H,6-9,17H2,1H3.
What are the key properties of [5-[2-(2,2-difluoroethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine?
[5-[2-(2,2-difluoroethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 254.32 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(2,2-difluoroethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117389264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).