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

C15H17FN2 — CID 105409491

IUPACN-[[3-(3-fluoro-4-pyridinyl)-4-methylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(C)c(-c2ccncc2F)c1
InChIInChI=1S/C15H17FN2/c1-3-17-9-12-5-4-11(2)14(8-12)13-6-7-18-10-15(13)16/h4-8,10,17H,3,9H2,1-2H3
InChIKeyFIDPTVOCLCGXRA-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.31
Rot. Bonds4

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

N-[[3-(3-fluoro-4-pyridinyl)-4-methylphenyl]methyl]ethanamine (PubChem CID 105409491) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is N-[[3-(3-fluoro-4-pyridinyl)-4-methylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(3-fluoro-4-pyridinyl)-4-methylphenyl]methyl]ethanamine
PubChem CID105409491
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC NameN-[[3-(3-fluoro-4-pyridinyl)-4-methylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(C)c(-c2ccncc2F)c1
InChIInChI=1S/C15H17FN2/c1-3-17-9-12-5-4-11(2)14(8-12)13-6-7-18-10-15(13)16/h4-8,10,17H,3,9H2,1-2H3
InChIKeyFIDPTVOCLCGXRA-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-fluoro-4-(3-methyl-4-pyridinyl)phenyl]methyl]ethanamine
CID 81447965
N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine
CID 105408911
N-[[4-fluoro-3-(5-methyl-3-pyridinyl)phenyl]methyl]ethanamine
CID 115375063
N-[[4-(2,4-difluoro-5-methylphenyl)-3-fluorophenyl]methyl]ethanamine
CID 81441068
N-[[3-(2,3-dimethylphenyl)-4-methylphenyl]methyl]ethanamine
CID 105408635
N-[[4-fluoro-3-(2-fluorophenyl)phenyl]methyl]ethanamine
CID 62492408
N-[[3-(3,5-dimethylphenyl)-4-methylphenyl]methyl]ethanamine
CID 105408285
N-[[4-(2,4-dimethylphenyl)-3-fluorophenyl]methyl]ethanamine
CID 81446751
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
2-fluoro-4-[[(4-methyl-3-pyridinyl)methylamino]methyl]benzoic acid
CID 106700569
1-(3,4-difluorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine
CID 114698678
N-[[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]methyl]propan-1-amine
CID 105408556

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-fluoro-4-pyridinyl)-4-methylphenyl]methyl]ethanamine?
The IUPAC name of N-[[3-(3-fluoro-4-pyridinyl)-4-methylphenyl]methyl]ethanamine (CID 105409491) is N-[[3-(3-fluoro-4-pyridinyl)-4-methylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(3-fluoro-4-pyridinyl)-4-methylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(3-fluoro-4-pyridinyl)-4-methylphenyl]methyl]ethanamine is CCNCc1ccc(C)c(-c2ccncc2F)c1.
What is the InChIKey of N-[[3-(3-fluoro-4-pyridinyl)-4-methylphenyl]methyl]ethanamine?
The InChIKey is FIDPTVOCLCGXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c1-3-17-9-12-5-4-11(2)14(8-12)13-6-7-18-10-15(13)16/h4-8,10,17H,3,9H2,1-2H3.
What are the key properties of N-[[3-(3-fluoro-4-pyridinyl)-4-methylphenyl]methyl]ethanamine?
N-[[3-(3-fluoro-4-pyridinyl)-4-methylphenyl]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-[[3-(3-fluoro-4-pyridinyl)-4-methylphenyl]methyl]ethanamine is sourced from PubChem (CID 105409491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).