1-[2-amino-1-(4-fluoro-2-methylphenyl)ethyl]-N,N-diethylpyrrolidin-3-amine

C17H28FN3 — CID 63172035

IUPAC1-[2-amino-1-(4-fluoro-2-methylphenyl)ethyl]-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(C(CN)c2ccc(F)cc2C)C1
InChIInChI=1S/C17H28FN3/c1-4-20(5-2)15-8-9-21(12-15)17(11-19)16-7-6-14(18)10-13(16)3/h6-7,10,15,17H,4-5,8-9,11-12,19H2,1-3H3
InChIKeyLLGPRUYHDNMGEE-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.55
Rot. Bonds6

About 1-[2-amino-1-(4-fluoro-2-methylphenyl)ethyl]-N,N-diethylpyrrolidin-3-amine

1-[2-amino-1-(4-fluoro-2-methylphenyl)ethyl]-N,N-diethylpyrrolidin-3-amine (PubChem CID 63172035) has the molecular formula C17H28FN3 and a molecular weight of 293.43 g/mol. Its IUPAC name is 1-[2-amino-1-(4-fluoro-2-methylphenyl)ethyl]-N,N-diethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-amino-1-(4-fluoro-2-methylphenyl)ethyl]-N,N-diethylpyrrolidin-3-amine
PubChem CID63172035
Molecular FormulaC17H28FN3
Molecular Weight293.43 g/mol
Exact Mass293.23
IUPAC Name1-[2-amino-1-(4-fluoro-2-methylphenyl)ethyl]-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(C(CN)c2ccc(F)cc2C)C1
InChIInChI=1S/C17H28FN3/c1-4-20(5-2)15-8-9-21(12-15)17(11-19)16-7-6-14(18)10-13(16)3/h6-7,10,15,17H,4-5,8-9,11-12,19H2,1-3H3
InChIKeyLLGPRUYHDNMGEE-UHFFFAOYSA-N
XLogP2.55
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-amino-1-(4-fluoro-2-methylphenyl)ethyl]-N,N-diethylpyrrolidin-3-amine 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 1-[2-amino-1-(4-fluoro-2-methylphenyl)ethyl]-N,N-diethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-amino-1-(4-fluoro-2-methylphenyl)ethyl]-N,N-diethylpyrrolidin-3-amine (CID 63172035) is 1-[2-amino-1-(4-fluoro-2-methylphenyl)ethyl]-N,N-diethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-amino-1-(4-fluoro-2-methylphenyl)ethyl]-N,N-diethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-amino-1-(4-fluoro-2-methylphenyl)ethyl]-N,N-diethylpyrrolidin-3-amine is CCN(CC)C1CCN(C(CN)c2ccc(F)cc2C)C1.
What is the InChIKey of 1-[2-amino-1-(4-fluoro-2-methylphenyl)ethyl]-N,N-diethylpyrrolidin-3-amine?
The InChIKey is LLGPRUYHDNMGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN3/c1-4-20(5-2)15-8-9-21(12-15)17(11-19)16-7-6-14(18)10-13(16)3/h6-7,10,15,17H,4-5,8-9,11-12,19H2,1-3H3.
What are the key properties of 1-[2-amino-1-(4-fluoro-2-methylphenyl)ethyl]-N,N-diethylpyrrolidin-3-amine?
1-[2-amino-1-(4-fluoro-2-methylphenyl)ethyl]-N,N-diethylpyrrolidin-3-amine has a molecular weight of 293.43 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(4-fluoro-2-methylphenyl)ethyl]-N,N-diethylpyrrolidin-3-amine is sourced from PubChem (CID 63172035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).