(1R)-1-[4-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine

C14H18FN3O — CID 102999823

IUPAC(1R)-1-[4-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(F)cc1OCCc1ccnn1C
InChIInChI=1S/C14H18FN3O/c1-10(16)13-4-3-11(15)9-14(13)19-8-6-12-5-7-17-18(12)2/h3-5,7,9-10H,6,8,16H2,1-2H3/t10-/m1/s1
InChIKeyCPAJFJMNGKFRFV-SNVBAGLBSA-N
MW263.32 g/mol
LogP2.20
Rot. Bonds5

About (1R)-1-[4-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine

(1R)-1-[4-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine (PubChem CID 102999823) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is (1R)-1-[4-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine
PubChem CID102999823
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name(1R)-1-[4-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(F)cc1OCCc1ccnn1C
InChIInChI=1S/C14H18FN3O/c1-10(16)13-4-3-11(15)9-14(13)19-8-6-12-5-7-17-18(12)2/h3-5,7,9-10H,6,8,16H2,1-2H3/t10-/m1/s1
InChIKeyCPAJFJMNGKFRFV-SNVBAGLBSA-N
XLogP2.20
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-1-[4-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine 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

(1S)-1-[5-bromo-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine
CID 102999821
2-[5-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine
CID 107700474
(1S)-1-[4-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine
CID 55189579
[5-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]boronic acid
CID 103003887
1-[4-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]ethanamine
CID 63064237
2-[2-(2-methylpyrazol-3-yl)ethoxy]aniline
CID 102999319
(1R)-1-(2-decoxy-4-fluorophenyl)ethanamine
CID 63486431
(1S)-1-[3-fluoro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanol
CID 103003611
1-[2-[2-(4-bromophenoxy)ethoxy]-4-fluorophenyl]ethanamine
CID 63066537
2-methyl-N-[[2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 102999753
1-[4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 104560887
1-[3-fluoro-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]butan-2-amine
CID 103013256

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine (CID 102999823) is (1R)-1-[4-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine is C[C@@H](N)c1ccc(F)cc1OCCc1ccnn1C.
What is the InChIKey of (1R)-1-[4-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine?
The InChIKey is CPAJFJMNGKFRFV-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-10(16)13-4-3-11(15)9-14(13)19-8-6-12-5-7-17-18(12)2/h3-5,7,9-10H,6,8,16H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[4-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine?
(1R)-1-[4-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine has a molecular weight of 263.32 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 102999823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).