5-(2-aminoethyl)-N-[1-(2-fluorophenyl)ethyl]-N,3-dimethylpyridin-2-amine

C17H22FN3 — CID 80636823

IUPAC5-(2-aminoethyl)-N-[1-(2-fluorophenyl)ethyl]-N,3-dimethylpyridin-2-amine
SMILESCc1cc(CCN)cnc1N(C)C(C)c1ccccc1F
InChIInChI=1S/C17H22FN3/c1-12-10-14(8-9-19)11-20-17(12)21(3)13(2)15-6-4-5-7-16(15)18/h4-7,10-11,13H,8-9,19H2,1-3H3
InChIKeyHPOSDDIEVLYAPG-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.23
Rot. Bonds5

About 5-(2-aminoethyl)-N-[1-(2-fluorophenyl)ethyl]-N,3-dimethylpyridin-2-amine

5-(2-aminoethyl)-N-[1-(2-fluorophenyl)ethyl]-N,3-dimethylpyridin-2-amine (PubChem CID 80636823) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-[1-(2-fluorophenyl)ethyl]-N,3-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-[1-(2-fluorophenyl)ethyl]-N,3-dimethylpyridin-2-amine
PubChem CID80636823
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name5-(2-aminoethyl)-N-[1-(2-fluorophenyl)ethyl]-N,3-dimethylpyridin-2-amine
SMILESCc1cc(CCN)cnc1N(C)C(C)c1ccccc1F
InChIInChI=1S/C17H22FN3/c1-12-10-14(8-9-19)11-20-17(12)21(3)13(2)15-6-4-5-7-16(15)18/h4-7,10-11,13H,8-9,19H2,1-3H3
InChIKeyHPOSDDIEVLYAPG-UHFFFAOYSA-N
XLogP3.23
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-[1-(2-fluorophenyl)ethyl]-N,3-dimethylpyridin-2-amine?
The IUPAC name of 5-(2-aminoethyl)-N-[1-(2-fluorophenyl)ethyl]-N,3-dimethylpyridin-2-amine (CID 80636823) is 5-(2-aminoethyl)-N-[1-(2-fluorophenyl)ethyl]-N,3-dimethylpyridin-2-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N-[1-(2-fluorophenyl)ethyl]-N,3-dimethylpyridin-2-amine?
The canonical SMILES for 5-(2-aminoethyl)-N-[1-(2-fluorophenyl)ethyl]-N,3-dimethylpyridin-2-amine is Cc1cc(CCN)cnc1N(C)C(C)c1ccccc1F.
What is the InChIKey of 5-(2-aminoethyl)-N-[1-(2-fluorophenyl)ethyl]-N,3-dimethylpyridin-2-amine?
The InChIKey is HPOSDDIEVLYAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-12-10-14(8-9-19)11-20-17(12)21(3)13(2)15-6-4-5-7-16(15)18/h4-7,10-11,13H,8-9,19H2,1-3H3.
What are the key properties of 5-(2-aminoethyl)-N-[1-(2-fluorophenyl)ethyl]-N,3-dimethylpyridin-2-amine?
5-(2-aminoethyl)-N-[1-(2-fluorophenyl)ethyl]-N,3-dimethylpyridin-2-amine has a molecular weight of 287.38 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-[1-(2-fluorophenyl)ethyl]-N,3-dimethylpyridin-2-amine is sourced from PubChem (CID 80636823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).