N-[[4-fluoro-3-(5-methyl-3-pyridinyl)phenyl]methyl]ethanamine

C15H17FN2 — CID 115375063

IUPACN-[[4-fluoro-3-(5-methyl-3-pyridinyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)c(-c2cncc(C)c2)c1
InChIInChI=1S/C15H17FN2/c1-3-17-9-12-4-5-15(16)14(7-12)13-6-11(2)8-18-10-13/h4-8,10,17H,3,9H2,1-2H3
InChIKeyVVLSHHGWMSVYRG-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.31
Rot. Bonds4

About N-[[4-fluoro-3-(5-methyl-3-pyridinyl)phenyl]methyl]ethanamine

N-[[4-fluoro-3-(5-methyl-3-pyridinyl)phenyl]methyl]ethanamine (PubChem CID 115375063) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is N-[[4-fluoro-3-(5-methyl-3-pyridinyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-fluoro-3-(5-methyl-3-pyridinyl)phenyl]methyl]ethanamine
PubChem CID115375063
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC NameN-[[4-fluoro-3-(5-methyl-3-pyridinyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)c(-c2cncc(C)c2)c1
InChIInChI=1S/C15H17FN2/c1-3-17-9-12-4-5-15(16)14(7-12)13-6-11(2)8-18-10-13/h4-8,10,17H,3,9H2,1-2H3
InChIKeyVVLSHHGWMSVYRG-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(3,4-difluorophenyl)-4-fluorophenyl]methyl]ethanamine
CID 61033140
N-[[4-fluoro-3-(5-methylthiophen-3-yl)phenyl]methyl]ethanamine
CID 65099885
N-[[4-fluoro-3-(2-fluorophenyl)phenyl]methyl]ethanamine
CID 62492408
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
N-[[3-(3-fluoro-4-pyridinyl)-4-methylphenyl]methyl]ethanamine
CID 105409491
N-[[3-fluoro-4-(3-methylphenyl)phenyl]methyl]ethanamine
CID 81447039
N-[[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]methyl]propan-1-amine
CID 105408556
N-[[3-(2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methyl]ethanamine
CID 63427980
N-[[4-fluoro-3-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]ethanamine
CID 66099332
N-[[3-(3,5-dimethylphenyl)-4-methylphenyl]methyl]ethanamine
CID 105408285
N-[[4-fluoro-3-(3-methylthiophen-2-yl)phenyl]methyl]ethanamine
CID 79991736
N-[[3-fluoro-4-(3-methyl-4-pyridinyl)phenyl]methyl]ethanamine
CID 81447965

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-(5-methyl-3-pyridinyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-fluoro-3-(5-methyl-3-pyridinyl)phenyl]methyl]ethanamine (CID 115375063) is N-[[4-fluoro-3-(5-methyl-3-pyridinyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-fluoro-3-(5-methyl-3-pyridinyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-fluoro-3-(5-methyl-3-pyridinyl)phenyl]methyl]ethanamine is CCNCc1ccc(F)c(-c2cncc(C)c2)c1.
What is the InChIKey of N-[[4-fluoro-3-(5-methyl-3-pyridinyl)phenyl]methyl]ethanamine?
The InChIKey is VVLSHHGWMSVYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c1-3-17-9-12-4-5-15(16)14(7-12)13-6-11(2)8-18-10-13/h4-8,10,17H,3,9H2,1-2H3.
What are the key properties of N-[[4-fluoro-3-(5-methyl-3-pyridinyl)phenyl]methyl]ethanamine?
N-[[4-fluoro-3-(5-methyl-3-pyridinyl)phenyl]methyl]ethanamine has a molecular weight of 244.31 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-3-(5-methyl-3-pyridinyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 115375063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).