2-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine

C14H20ClFN2 — CID 114487916

IUPAC2-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
SMILESCC1(C)CCCN1C(CN)c1cccc(Cl)c1F
InChIInChI=1S/C14H20ClFN2/c1-14(2)7-4-8-18(14)12(9-17)10-5-3-6-11(15)13(10)16/h3,5-6,12H,4,7-9,17H2,1-2H3
InChIKeyJJDNFSAFJBWWNA-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.35
Rot. Bonds3

About 2-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine

2-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine (PubChem CID 114487916) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
PubChem CID114487916
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC Name2-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
SMILESCC1(C)CCCN1C(CN)c1cccc(Cl)c1F
InChIInChI=1S/C14H20ClFN2/c1-14(2)7-4-8-18(14)12(9-17)10-5-3-6-11(15)13(10)16/h3,5-6,12H,4,7-9,17H2,1-2H3
InChIKeyJJDNFSAFJBWWNA-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine (CID 114487916) is 2-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine is CC1(C)CCCN1C(CN)c1cccc(Cl)c1F.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine?
The InChIKey is JJDNFSAFJBWWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2/c1-14(2)7-4-8-18(14)12(9-17)10-5-3-6-11(15)13(10)16/h3,5-6,12H,4,7-9,17H2,1-2H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine?
2-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine has a molecular weight of 270.78 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 114487916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).