1-(5-fluoro-2-pyridinyl)-1-(2,4,5-trimethylphenyl)ethanamine

C16H19FN2 — CID 83125097

IUPAC1-(5-fluoro-2-pyridinyl)-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(C)(N)c2ccc(F)cn2)cc1C
InChIInChI=1S/C16H19FN2/c1-10-7-12(3)14(8-11(10)2)16(4,18)15-6-5-13(17)9-19-15/h5-9H,18H2,1-4H3
InChIKeyPGOLYUNDKMCPKC-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.37
Rot. Bonds2

About 1-(5-fluoro-2-pyridinyl)-1-(2,4,5-trimethylphenyl)ethanamine

1-(5-fluoro-2-pyridinyl)-1-(2,4,5-trimethylphenyl)ethanamine (PubChem CID 83125097) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-1-(2,4,5-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-1-(2,4,5-trimethylphenyl)ethanamine
PubChem CID83125097
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name1-(5-fluoro-2-pyridinyl)-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(C)(N)c2ccc(F)cn2)cc1C
InChIInChI=1S/C16H19FN2/c1-10-7-12(3)14(8-11(10)2)16(4,18)15-6-5-13(17)9-19-15/h5-9H,18H2,1-4H3
InChIKeyPGOLYUNDKMCPKC-UHFFFAOYSA-N
XLogP3.37
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-fluoro-2-pyridinyl)-1-(2,4,5-trimethylphenyl)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 1-(5-fluoro-2-pyridinyl)-1-(2,4,5-trimethylphenyl)ethanamine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-1-(2,4,5-trimethylphenyl)ethanamine (CID 83125097) is 1-(5-fluoro-2-pyridinyl)-1-(2,4,5-trimethylphenyl)ethanamine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-1-(2,4,5-trimethylphenyl)ethanamine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-1-(2,4,5-trimethylphenyl)ethanamine is Cc1cc(C)c(C(C)(N)c2ccc(F)cn2)cc1C.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-1-(2,4,5-trimethylphenyl)ethanamine?
The InChIKey is PGOLYUNDKMCPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-10-7-12(3)14(8-11(10)2)16(4,18)15-6-5-13(17)9-19-15/h5-9H,18H2,1-4H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-1-(2,4,5-trimethylphenyl)ethanamine?
1-(5-fluoro-2-pyridinyl)-1-(2,4,5-trimethylphenyl)ethanamine has a molecular weight of 258.34 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-1-(2,4,5-trimethylphenyl)ethanamine is sourced from PubChem (CID 83125097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).