2-tert-butyl-4-(3-chloro-2-fluorophenyl)pyrrolidin-3-amine

C14H20ClFN2 — CID 129059415

IUPAC2-tert-butyl-4-(3-chloro-2-fluorophenyl)pyrrolidin-3-amine
SMILESCC(C)(C)C1NCC(c2cccc(Cl)c2F)C1N
InChIInChI=1S/C14H20ClFN2/c1-14(2,3)13-12(17)9(7-18-13)8-5-4-6-10(15)11(8)16/h4-6,9,12-13,18H,7,17H2,1-3H3
InChIKeyCYKVLEODJMNDIJ-UHFFFAOYSA-N
MW270.78 g/mol
LogP2.91
Rot. Bonds1

About 2-tert-butyl-4-(3-chloro-2-fluorophenyl)pyrrolidin-3-amine

2-tert-butyl-4-(3-chloro-2-fluorophenyl)pyrrolidin-3-amine (PubChem CID 129059415) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is 2-tert-butyl-4-(3-chloro-2-fluorophenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name2-tert-butyl-4-(3-chloro-2-fluorophenyl)pyrrolidin-3-amine
PubChem CID129059415
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC Name2-tert-butyl-4-(3-chloro-2-fluorophenyl)pyrrolidin-3-amine
SMILESCC(C)(C)C1NCC(c2cccc(Cl)c2F)C1N
InChIInChI=1S/C14H20ClFN2/c1-14(2,3)13-12(17)9(7-18-13)8-5-4-6-10(15)11(8)16/h4-6,9,12-13,18H,7,17H2,1-3H3
InChIKeyCYKVLEODJMNDIJ-UHFFFAOYSA-N
XLogP2.91
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(3-chloro-2-fluorophenyl)pyrrolidin-3-amine?
The IUPAC name of 2-tert-butyl-4-(3-chloro-2-fluorophenyl)pyrrolidin-3-amine (CID 129059415) is 2-tert-butyl-4-(3-chloro-2-fluorophenyl)pyrrolidin-3-amine.
What is the SMILES notation for 2-tert-butyl-4-(3-chloro-2-fluorophenyl)pyrrolidin-3-amine?
The canonical SMILES for 2-tert-butyl-4-(3-chloro-2-fluorophenyl)pyrrolidin-3-amine is CC(C)(C)C1NCC(c2cccc(Cl)c2F)C1N.
What is the InChIKey of 2-tert-butyl-4-(3-chloro-2-fluorophenyl)pyrrolidin-3-amine?
The InChIKey is CYKVLEODJMNDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2/c1-14(2,3)13-12(17)9(7-18-13)8-5-4-6-10(15)11(8)16/h4-6,9,12-13,18H,7,17H2,1-3H3.
What are the key properties of 2-tert-butyl-4-(3-chloro-2-fluorophenyl)pyrrolidin-3-amine?
2-tert-butyl-4-(3-chloro-2-fluorophenyl)pyrrolidin-3-amine has a molecular weight of 270.78 g/mol, XLogP of 2.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(3-chloro-2-fluorophenyl)pyrrolidin-3-amine is sourced from PubChem (CID 129059415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).