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

C14H20F2N2 — CID 75356155

IUPAC1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
SMILESCC(C)(C(N)c1ccc(F)c(F)c1)N1CCCC1
InChIInChI=1S/C14H20F2N2/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
InChIKeyWJXRTQWHUVATOZ-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.84
Rot. Bonds3

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

1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine (PubChem CID 75356155) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
PubChem CID75356155
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
SMILESCC(C)(C(N)c1ccc(F)c(F)c1)N1CCCC1
InChIInChI=1S/C14H20F2N2/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
InChIKeyWJXRTQWHUVATOZ-UHFFFAOYSA-N
XLogP2.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.84
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?
The IUPAC name of 1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine (CID 75356155) is 1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine is CC(C)(C(N)c1ccc(F)c(F)c1)N1CCCC1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is WJXRTQWHUVATOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/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.
What are the key properties of 1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine?
1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 254.32 g/mol, XLogP of 2.84, 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 is sourced from PubChem (CID 75356155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).