1-[2-(3,4-difluorophenyl)-2-methoxyethyl]pyrrolidin-3-amine

C13H18F2N2O — CID 71014280

IUPAC1-[2-(3,4-difluorophenyl)-2-methoxyethyl]pyrrolidin-3-amine
SMILESCOC(CN1CCC(N)C1)c1ccc(F)c(F)c1
InChIInChI=1S/C13H18F2N2O/c1-18-13(8-17-5-4-10(16)7-17)9-2-3-11(14)12(15)6-9/h2-3,6,10,13H,4-5,7-8,16H2,1H3
InChIKeySRNXJFKQRIOXGX-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.69
Rot. Bonds4

About 1-[2-(3,4-difluorophenyl)-2-methoxyethyl]pyrrolidin-3-amine

1-[2-(3,4-difluorophenyl)-2-methoxyethyl]pyrrolidin-3-amine (PubChem CID 71014280) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-[2-(3,4-difluorophenyl)-2-methoxyethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-(3,4-difluorophenyl)-2-methoxyethyl]pyrrolidin-3-amine
PubChem CID71014280
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name1-[2-(3,4-difluorophenyl)-2-methoxyethyl]pyrrolidin-3-amine
SMILESCOC(CN1CCC(N)C1)c1ccc(F)c(F)c1
InChIInChI=1S/C13H18F2N2O/c1-18-13(8-17-5-4-10(16)7-17)9-2-3-11(14)12(15)6-9/h2-3,6,10,13H,4-5,7-8,16H2,1H3
InChIKeySRNXJFKQRIOXGX-UHFFFAOYSA-N
XLogP1.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-difluorophenyl)-2-methoxyethyl]pyrrolidin-3-amine?
The IUPAC name of 1-[2-(3,4-difluorophenyl)-2-methoxyethyl]pyrrolidin-3-amine (CID 71014280) is 1-[2-(3,4-difluorophenyl)-2-methoxyethyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[2-(3,4-difluorophenyl)-2-methoxyethyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[2-(3,4-difluorophenyl)-2-methoxyethyl]pyrrolidin-3-amine is COC(CN1CCC(N)C1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-[2-(3,4-difluorophenyl)-2-methoxyethyl]pyrrolidin-3-amine?
The InChIKey is SRNXJFKQRIOXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-18-13(8-17-5-4-10(16)7-17)9-2-3-11(14)12(15)6-9/h2-3,6,10,13H,4-5,7-8,16H2,1H3.
What are the key properties of 1-[2-(3,4-difluorophenyl)-2-methoxyethyl]pyrrolidin-3-amine?
1-[2-(3,4-difluorophenyl)-2-methoxyethyl]pyrrolidin-3-amine has a molecular weight of 256.30 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-difluorophenyl)-2-methoxyethyl]pyrrolidin-3-amine is sourced from PubChem (CID 71014280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).