N-[[2-fluoro-5-(1-methylpyrazol-3-yl)phenyl]methyl]ethanamine

C13H16FN3 — CID 103131646

IUPACN-[[2-fluoro-5-(1-methylpyrazol-3-yl)phenyl]methyl]ethanamine
SMILESCCNCc1cc(-c2ccn(C)n2)ccc1F
InChIInChI=1S/C13H16FN3/c1-3-15-9-11-8-10(4-5-12(11)14)13-6-7-17(2)16-13/h4-8,15H,3,9H2,1-2H3
InChIKeySAKYUEIHAUBYEB-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.34
Rot. Bonds4

About N-[[2-fluoro-5-(1-methylpyrazol-3-yl)phenyl]methyl]ethanamine

N-[[2-fluoro-5-(1-methylpyrazol-3-yl)phenyl]methyl]ethanamine (PubChem CID 103131646) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is N-[[2-fluoro-5-(1-methylpyrazol-3-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-fluoro-5-(1-methylpyrazol-3-yl)phenyl]methyl]ethanamine
PubChem CID103131646
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC NameN-[[2-fluoro-5-(1-methylpyrazol-3-yl)phenyl]methyl]ethanamine
SMILESCCNCc1cc(-c2ccn(C)n2)ccc1F
InChIInChI=1S/C13H16FN3/c1-3-15-9-11-8-10(4-5-12(11)14)13-6-7-17(2)16-13/h4-8,15H,3,9H2,1-2H3
InChIKeySAKYUEIHAUBYEB-UHFFFAOYSA-N
XLogP2.34
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-fluoro-5-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine
CID 61033146
N-[[5-(3,5-dimethylphenyl)-2-fluorophenyl]methyl]ethanamine
CID 63424375
N-[[5-(2,4-difluorophenyl)-2-fluorophenyl]methyl]ethanamine
CID 61032625
N-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]ethanamine
CID 105350026
N-[[2-fluoro-5-(1H-pyrrol-2-yl)phenyl]methyl]ethanamine
CID 103341614
N-[[2-fluoro-5-(3-propyltriazol-4-yl)phenyl]methyl]ethanamine
CID 114689894
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
N-[[2-fluoro-5-(2-fluoro-5-methylphenyl)phenyl]methyl]ethanamine
CID 54911835
2-ethyl-4-(1-methylpyrazol-3-yl)aniline
CID 103131564
N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 61033867
N-[[5-(3,4-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine
CID 61026053
N-[[5-(2,4-dichlorophenyl)-2-fluorophenyl]methyl]ethanamine
CID 63428426

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-5-(1-methylpyrazol-3-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-fluoro-5-(1-methylpyrazol-3-yl)phenyl]methyl]ethanamine (CID 103131646) is N-[[2-fluoro-5-(1-methylpyrazol-3-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-fluoro-5-(1-methylpyrazol-3-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-fluoro-5-(1-methylpyrazol-3-yl)phenyl]methyl]ethanamine is CCNCc1cc(-c2ccn(C)n2)ccc1F.
What is the InChIKey of N-[[2-fluoro-5-(1-methylpyrazol-3-yl)phenyl]methyl]ethanamine?
The InChIKey is SAKYUEIHAUBYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-3-15-9-11-8-10(4-5-12(11)14)13-6-7-17(2)16-13/h4-8,15H,3,9H2,1-2H3.
What are the key properties of N-[[2-fluoro-5-(1-methylpyrazol-3-yl)phenyl]methyl]ethanamine?
N-[[2-fluoro-5-(1-methylpyrazol-3-yl)phenyl]methyl]ethanamine has a molecular weight of 233.29 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-5-(1-methylpyrazol-3-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 103131646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).