N-[[2-fluoro-4-(pyridin-3-ylmethyl)phenyl]methyl]ethanamine

C15H17FN2 — CID 113447026

IUPACN-[[2-fluoro-4-(pyridin-3-ylmethyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Cc2cccnc2)cc1F
InChIInChI=1S/C15H17FN2/c1-2-17-11-14-6-5-12(9-15(14)16)8-13-4-3-7-18-10-13/h3-7,9-10,17H,2,8,11H2,1H3
InChIKeyFNCGEPMTIMBDLJ-UHFFFAOYSA-N
MW244.31 g/mol
LogP2.92
Rot. Bonds5

About N-[[2-fluoro-4-(pyridin-3-ylmethyl)phenyl]methyl]ethanamine

N-[[2-fluoro-4-(pyridin-3-ylmethyl)phenyl]methyl]ethanamine (PubChem CID 113447026) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is N-[[2-fluoro-4-(pyridin-3-ylmethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-fluoro-4-(pyridin-3-ylmethyl)phenyl]methyl]ethanamine
PubChem CID113447026
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC NameN-[[2-fluoro-4-(pyridin-3-ylmethyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Cc2cccnc2)cc1F
InChIInChI=1S/C15H17FN2/c1-2-17-11-14-6-5-12(9-15(14)16)8-13-4-3-7-18-10-13/h3-7,9-10,17H,2,8,11H2,1H3
InChIKeyFNCGEPMTIMBDLJ-UHFFFAOYSA-N
XLogP2.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]ethanamine
CID 54911873
3-[(4-fluoro-3-methylphenyl)methyl]pyridine
CID 175091377
N-[[2-fluoro-4-[(1-methylimidazol-2-yl)methyl]phenyl]methyl]ethanamine
CID 79737938
N-[(4-chloro-2-fluorophenyl)methyl]-2-pyridin-3-ylethanamine
CID 114842036
1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine
CID 174270590
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
N-[[4,6-dimethyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]methyl]ethanamine
CID 62744955
4-(ethylaminomethyl)-N,3-dimethyl-N-(pyridin-3-ylmethyl)aniline
CID 62135360
2-methyl-4-(pyridin-3-ylmethyl)phenol
CID 13365794
N-[(2-fluoro-4-methylphenyl)methyl]ethanamine
CID 61033995
N-[[3,5-dichloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine
CID 43515745
1-[2-methoxy-5-(pyridin-3-ylmethyl)phenyl]-N-methylmethanamine
CID 104736885

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-(pyridin-3-ylmethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-fluoro-4-(pyridin-3-ylmethyl)phenyl]methyl]ethanamine (CID 113447026) is N-[[2-fluoro-4-(pyridin-3-ylmethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-fluoro-4-(pyridin-3-ylmethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-fluoro-4-(pyridin-3-ylmethyl)phenyl]methyl]ethanamine is CCNCc1ccc(Cc2cccnc2)cc1F.
What is the InChIKey of N-[[2-fluoro-4-(pyridin-3-ylmethyl)phenyl]methyl]ethanamine?
The InChIKey is FNCGEPMTIMBDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c1-2-17-11-14-6-5-12(9-15(14)16)8-13-4-3-7-18-10-13/h3-7,9-10,17H,2,8,11H2,1H3.
What are the key properties of N-[[2-fluoro-4-(pyridin-3-ylmethyl)phenyl]methyl]ethanamine?
N-[[2-fluoro-4-(pyridin-3-ylmethyl)phenyl]methyl]ethanamine has a molecular weight of 244.31 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-(pyridin-3-ylmethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 113447026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).