N-[(3,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine

C16H19FN2 — CID 79722905

IUPACN-[(3,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cc(C)cc(C)c1)c1ccc(F)cn1
InChIInChI=1S/C16H19FN2/c1-4-18-16(15-6-5-14(17)10-19-15)13-8-11(2)7-12(3)9-13/h5-10,16,18H,4H2,1-3H3
InChIKeyVFRZPFVNXHSMNQ-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.54
Rot. Bonds4

About N-[(3,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine

N-[(3,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine (PubChem CID 79722905) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is N-[(3,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine
PubChem CID79722905
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC NameN-[(3,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cc(C)cc(C)c1)c1ccc(F)cn1
InChIInChI=1S/C16H19FN2/c1-4-18-16(15-6-5-14(17)10-19-15)13-8-11(2)7-12(3)9-13/h5-10,16,18H,4H2,1-3H3
InChIKeyVFRZPFVNXHSMNQ-UHFFFAOYSA-N
XLogP3.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

N-[(4-fluorophenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine
CID 79712293
N-[(2,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine
CID 79722028
N-[(5-fluoro-2-pyridinyl)-thiophen-3-ylmethyl]ethanamine
CID 79712572
N-[(3,5-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
CID 105097208
N-[(5-fluoro-2-pyridinyl)-(4-propoxyphenyl)methyl]ethanamine
CID 79706480
(3,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methanamine
CID 79722165
N-ethyl-1-(5-fluoro-2-pyridinyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 79706079
N-[(5-fluoro-2-methoxyphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine
CID 82769634
N-[(5-fluoro-2-pyridinyl)-(2-methoxyphenyl)methyl]ethanamine
CID 79722906
2-(3,5-difluorophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
CID 105406641
N-[(3-fluoro-5-methylphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine
CID 102951759
N-[(5-chloro-2-pyridinyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 107129020

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(3,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine (CID 79722905) is N-[(3,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(3,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine is CCNC(c1cc(C)cc(C)c1)c1ccc(F)cn1.
What is the InChIKey of N-[(3,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine?
The InChIKey is VFRZPFVNXHSMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-4-18-16(15-6-5-14(17)10-19-15)13-8-11(2)7-12(3)9-13/h5-10,16,18H,4H2,1-3H3.
What are the key properties of N-[(3,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine?
N-[(3,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine has a molecular weight of 258.34 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 79722905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).