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

C14H18FN3O — CID 102999976

IUPAC(1R)-1-[3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(OCCc2cnn(C)c2)c(F)c1
InChIInChI=1S/C14H18FN3O/c1-10(16)12-3-4-14(13(15)7-12)19-6-5-11-8-17-18(2)9-11/h3-4,7-10H,5-6,16H2,1-2H3/t10-/m1/s1
InChIKeyJBSVDEWATNNEHX-SNVBAGLBSA-N
MW263.32 g/mol
LogP2.20
Rot. Bonds5

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

(1R)-1-[3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanamine (PubChem CID 102999976) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is (1R)-1-[3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanamine
PubChem CID102999976
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name(1R)-1-[3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(OCCc2cnn(C)c2)c(F)c1
InChIInChI=1S/C14H18FN3O/c1-10(16)12-3-4-14(13(15)7-12)19-6-5-11-8-17-18(2)9-11/h3-4,7-10H,5-6,16H2,1-2H3/t10-/m1/s1
InChIKeyJBSVDEWATNNEHX-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

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Related Compounds

(1R)-1-[3-methoxy-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanamine
CID 102999803
3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]aniline
CID 102999336
3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonamide
CID 103003957
3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenecarboximidamide
CID 107666557
(1R)-1-[3-methyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanol
CID 103003602
(1S)-1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine
CID 104934213
5-fluoro-2-methyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]aniline
CID 102999396
(1R)-1-[3-fluoro-4-(3-pyridin-4-ylpropoxy)phenyl]ethanamine
CID 29006438
1-[3-[2-(1-methylpyrazol-4-yl)ethylsulfanyl]phenyl]ethanamine
CID 103015634
(1S)-1-[3-fluoro-4-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanamine
CID 78938882
1-methyl-4-[2-(2-propan-2-ylphenoxy)ethyl]pyrazole
CID 103016128
(1R)-1-[3-fluoro-4-(3,3,3-trifluoropropoxy)phenyl]ethanamine
CID 82956090

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanamine (CID 102999976) is (1R)-1-[3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanamine is C[C@@H](N)c1ccc(OCCc2cnn(C)c2)c(F)c1.
What is the InChIKey of (1R)-1-[3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanamine?
The InChIKey is JBSVDEWATNNEHX-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-10(16)12-3-4-14(13(15)7-12)19-6-5-11-8-17-18(2)9-11/h3-4,7-10H,5-6,16H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanamine?
(1R)-1-[3-fluoro-4-[2-(1-methylpyrazol-4-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-[3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 102999976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).