N-[[3-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine

C15H20FN3O — CID 115955059

IUPACN-[[3-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(F)c1OCCn1cccn1
InChIInChI=1S/C15H20FN3O/c1-12(2)17-11-13-5-3-6-14(16)15(13)20-10-9-19-8-4-7-18-19/h3-8,12,17H,9-11H2,1-2H3
InChIKeyNIVDQLJMUOQWAH-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.60
Rot. Bonds7

About N-[[3-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine

N-[[3-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine (PubChem CID 115955059) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is N-[[3-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine
PubChem CID115955059
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC NameN-[[3-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(F)c1OCCn1cccn1
InChIInChI=1S/C15H20FN3O/c1-12(2)17-11-13-5-3-6-14(16)15(13)20-10-9-19-8-4-7-18-19/h3-8,12,17H,9-11H2,1-2H3
InChIKeyNIVDQLJMUOQWAH-UHFFFAOYSA-N
XLogP2.60
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine
CID 112615203
N-[(3-fluoro-2-heptoxyphenyl)methyl]propan-2-amine
CID 115954986
N-[[3-fluoro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 102999952
N-[[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 61491521
N-[[3-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]propan-2-amine
CID 115955088
N-[[3-fluoro-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 115955092
N-[[3-bromo-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63058696
N-[[2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-3-fluorophenyl]methyl]propan-2-amine
CID 115955140
N-[[3-fluoro-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 112610621
N-[[3-fluoro-2-(2-methylidenebutoxy)phenyl]methyl]propan-2-amine
CID 112610694
1-[3,5-difluoro-4-(2-pyrazol-1-ylethoxy)phenyl]propan-2-amine
CID 79888311
4-[2-fluoro-6-[(propan-2-ylamino)methyl]phenoxy]-N,N-dimethylbutanamide
CID 115955089

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine (CID 115955059) is N-[[3-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine is CC(C)NCc1cccc(F)c1OCCn1cccn1.
What is the InChIKey of N-[[3-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine?
The InChIKey is NIVDQLJMUOQWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-12(2)17-11-13-5-3-6-14(16)15(13)20-10-9-19-8-4-7-18-19/h3-8,12,17H,9-11H2,1-2H3.
What are the key properties of N-[[3-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine?
N-[[3-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine has a molecular weight of 277.34 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 115955059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).