2-(3-chloro-5-fluorophenyl)-1-(2-methylpropyl)pyrrolidin-3-amine

C14H20ClFN2 — CID 114454821

IUPAC2-(3-chloro-5-fluorophenyl)-1-(2-methylpropyl)pyrrolidin-3-amine
SMILESCC(C)CN1CCC(N)C1c1cc(F)cc(Cl)c1
InChIInChI=1S/C14H20ClFN2/c1-9(2)8-18-4-3-13(17)14(18)10-5-11(15)7-12(16)6-10/h5-7,9,13-14H,3-4,8,17H2,1-2H3
InChIKeyUZURILRYKZDGMN-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.21
Rot. Bonds3

About 2-(3-chloro-5-fluorophenyl)-1-(2-methylpropyl)pyrrolidin-3-amine

2-(3-chloro-5-fluorophenyl)-1-(2-methylpropyl)pyrrolidin-3-amine (PubChem CID 114454821) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is 2-(3-chloro-5-fluorophenyl)-1-(2-methylpropyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name2-(3-chloro-5-fluorophenyl)-1-(2-methylpropyl)pyrrolidin-3-amine
PubChem CID114454821
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC Name2-(3-chloro-5-fluorophenyl)-1-(2-methylpropyl)pyrrolidin-3-amine
SMILESCC(C)CN1CCC(N)C1c1cc(F)cc(Cl)c1
InChIInChI=1S/C14H20ClFN2/c1-9(2)8-18-4-3-13(17)14(18)10-5-11(15)7-12(16)6-10/h5-7,9,13-14H,3-4,8,17H2,1-2H3
InChIKeyUZURILRYKZDGMN-UHFFFAOYSA-N
XLogP3.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-fluorophenyl)-1-(2-methylpropyl)pyrrolidin-3-amine?
The IUPAC name of 2-(3-chloro-5-fluorophenyl)-1-(2-methylpropyl)pyrrolidin-3-amine (CID 114454821) is 2-(3-chloro-5-fluorophenyl)-1-(2-methylpropyl)pyrrolidin-3-amine.
What is the SMILES notation for 2-(3-chloro-5-fluorophenyl)-1-(2-methylpropyl)pyrrolidin-3-amine?
The canonical SMILES for 2-(3-chloro-5-fluorophenyl)-1-(2-methylpropyl)pyrrolidin-3-amine is CC(C)CN1CCC(N)C1c1cc(F)cc(Cl)c1.
What is the InChIKey of 2-(3-chloro-5-fluorophenyl)-1-(2-methylpropyl)pyrrolidin-3-amine?
The InChIKey is UZURILRYKZDGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2/c1-9(2)8-18-4-3-13(17)14(18)10-5-11(15)7-12(16)6-10/h5-7,9,13-14H,3-4,8,17H2,1-2H3.
What are the key properties of 2-(3-chloro-5-fluorophenyl)-1-(2-methylpropyl)pyrrolidin-3-amine?
2-(3-chloro-5-fluorophenyl)-1-(2-methylpropyl)pyrrolidin-3-amine has a molecular weight of 270.78 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-fluorophenyl)-1-(2-methylpropyl)pyrrolidin-3-amine is sourced from PubChem (CID 114454821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).