3-(aminomethyl)-N-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidin-3-amine

C14H21ClFN3 — CID 107527826

IUPAC3-(aminomethyl)-N-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)N1CCC(CN)(Nc2cc(F)ccc2Cl)C1
InChIInChI=1S/C14H21ClFN3/c1-10(2)19-6-5-14(8-17,9-19)18-13-7-11(16)3-4-12(13)15/h3-4,7,10,18H,5-6,8-9,17H2,1-2H3
InChIKeyWNJAROANKZMBHO-UHFFFAOYSA-N
MW285.79 g/mol
LogP2.70
Rot. Bonds4

About 3-(aminomethyl)-N-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidin-3-amine

3-(aminomethyl)-N-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidin-3-amine (PubChem CID 107527826) has the molecular formula C14H21ClFN3 and a molecular weight of 285.79 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidin-3-amine
PubChem CID107527826
Molecular FormulaC14H21ClFN3
Molecular Weight285.79 g/mol
Exact Mass285.14
IUPAC Name3-(aminomethyl)-N-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)N1CCC(CN)(Nc2cc(F)ccc2Cl)C1
InChIInChI=1S/C14H21ClFN3/c1-10(2)19-6-5-14(8-17,9-19)18-13-7-11(16)3-4-12(13)15/h3-4,7,10,18H,5-6,8-9,17H2,1-2H3
InChIKeyWNJAROANKZMBHO-UHFFFAOYSA-N
XLogP2.70
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.79
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of 3-(aminomethyl)-N-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidin-3-amine (CID 107527826) is 3-(aminomethyl)-N-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidin-3-amine is CC(C)N1CCC(CN)(Nc2cc(F)ccc2Cl)C1.
What is the InChIKey of 3-(aminomethyl)-N-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidin-3-amine?
The InChIKey is WNJAROANKZMBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClFN3/c1-10(2)19-6-5-14(8-17,9-19)18-13-7-11(16)3-4-12(13)15/h3-4,7,10,18H,5-6,8-9,17H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidin-3-amine?
3-(aminomethyl)-N-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidin-3-amine has a molecular weight of 285.79 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 107527826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).