2-(3-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine

C15H17FN2 — CID 113297174

IUPAC2-(3-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
SMILESCNC(Cc1cccc(F)c1)c1cncc(C)c1
InChIInChI=1S/C15H17FN2/c1-11-6-13(10-18-9-11)15(17-2)8-12-4-3-5-14(16)7-12/h3-7,9-10,15,17H,8H2,1-2H3
InChIKeyYNYOIIQKLWBMDY-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.03
Rot. Bonds4

About 2-(3-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine

2-(3-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine (PubChem CID 113297174) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
PubChem CID113297174
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Name2-(3-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
SMILESCNC(Cc1cccc(F)c1)c1cncc(C)c1
InChIInChI=1S/C15H17FN2/c1-11-6-13(10-18-9-11)15(17-2)8-12-4-3-5-14(16)7-12/h3-7,9-10,15,17H,8H2,1-2H3
InChIKeyYNYOIIQKLWBMDY-UHFFFAOYSA-N
XLogP3.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(5-methyl-3-pyridinyl)-2-pyridin-3-ylethanamine
CID 113297193
2-(4-ethylphenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 105101832
2-(3-bromo-5-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 105169477
2-(3,4-dimethylphenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 115374488
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 103043135
2-(2-bromo-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 105136403
N-methyl-1-(5-methyl-3-pyridinyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 105137056
1-(3,4-dimethylphenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 43480184
1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 60818353
1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 106877909
N-methyl-1-(5-methyl-3-pyridinyl)-2-thiophen-2-ylethanamine
CID 115374448
2-(3-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethanamine
CID 43487445

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine?
The IUPAC name of 2-(3-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine (CID 113297174) is 2-(3-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(3-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(3-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine is CNC(Cc1cccc(F)c1)c1cncc(C)c1.
What is the InChIKey of 2-(3-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine?
The InChIKey is YNYOIIQKLWBMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c1-11-6-13(10-18-9-11)15(17-2)8-12-4-3-5-14(16)7-12/h3-7,9-10,15,17H,8H2,1-2H3.
What are the key properties of 2-(3-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine?
2-(3-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine has a molecular weight of 244.31 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 113297174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).