N-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)pyrrolidin-3-amine

C13H18ClFN2O — CID 66657207

IUPACN-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)pyrrolidin-3-amine
SMILESCOCCN(c1ccc(F)c(Cl)c1)C1CCNC1
InChIInChI=1S/C13H18ClFN2O/c1-18-7-6-17(11-4-5-16-9-11)10-2-3-13(15)12(14)8-10/h2-3,8,11,16H,4-7,9H2,1H3
InChIKeyUNEZVEUPNRSKAY-UHFFFAOYSA-N
MW272.75 g/mol
LogP2.29
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)pyrrolidin-3-amine

N-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)pyrrolidin-3-amine (PubChem CID 66657207) has the molecular formula C13H18ClFN2O and a molecular weight of 272.75 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)pyrrolidin-3-amine
PubChem CID66657207
Molecular FormulaC13H18ClFN2O
Molecular Weight272.75 g/mol
Exact Mass272.11
IUPAC NameN-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)pyrrolidin-3-amine
SMILESCOCCN(c1ccc(F)c(Cl)c1)C1CCNC1
InChIInChI=1S/C13H18ClFN2O/c1-18-7-6-17(11-4-5-16-9-11)10-2-3-13(15)12(14)8-10/h2-3,8,11,16H,4-7,9H2,1H3
InChIKeyUNEZVEUPNRSKAY-UHFFFAOYSA-N
XLogP2.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)pyrrolidin-3-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)pyrrolidin-3-amine (CID 66657207) is N-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)pyrrolidin-3-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)pyrrolidin-3-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)pyrrolidin-3-amine is COCCN(c1ccc(F)c(Cl)c1)C1CCNC1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)pyrrolidin-3-amine?
The InChIKey is UNEZVEUPNRSKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O/c1-18-7-6-17(11-4-5-16-9-11)10-2-3-13(15)12(14)8-10/h2-3,8,11,16H,4-7,9H2,1H3.
What are the key properties of N-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)pyrrolidin-3-amine?
N-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)pyrrolidin-3-amine has a molecular weight of 272.75 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)pyrrolidin-3-amine is sourced from PubChem (CID 66657207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).