(2R)-N-[(1S)-1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]ethyl]-1-methoxy-3-phenylpropan-2-amine

C22H26FN3O — CID 97332977

IUPAC(2R)-N-[(1S)-1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]ethyl]-1-methoxy-3-phenylpropan-2-amine
SMILESCOC[C@@H](Cc1ccccc1)N[C@@H](C)c1ccc(-n2cc(C)cn2)c(F)c1
InChIInChI=1S/C22H26FN3O/c1-16-13-24-26(14-16)22-10-9-19(12-21(22)23)17(2)25-20(15-27-3)11-18-7-5-4-6-8-18/h4-10,12-14,17,20,25H,11,15H2,1-3H3/t17-,20+/m0/s1
InChIKeyWZWRUHLLHMZFMJ-FXAWDEMLSA-N
MW367.47 g/mol
LogP4.23
Rot. Bonds8

About (2R)-N-[(1S)-1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]ethyl]-1-methoxy-3-phenylpropan-2-amine

(2R)-N-[(1S)-1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]ethyl]-1-methoxy-3-phenylpropan-2-amine (PubChem CID 97332977) has the molecular formula C22H26FN3O and a molecular weight of 367.47 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]ethyl]-1-methoxy-3-phenylpropan-2-amine.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]ethyl]-1-methoxy-3-phenylpropan-2-amine
PubChem CID97332977
Molecular FormulaC22H26FN3O
Molecular Weight367.47 g/mol
Exact Mass367.21
IUPAC Name(2R)-N-[(1S)-1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]ethyl]-1-methoxy-3-phenylpropan-2-amine
SMILESCOC[C@@H](Cc1ccccc1)N[C@@H](C)c1ccc(-n2cc(C)cn2)c(F)c1
InChIInChI=1S/C22H26FN3O/c1-16-13-24-26(14-16)22-10-9-19(12-21(22)23)17(2)25-20(15-27-3)11-18-7-5-4-6-8-18/h4-10,12-14,17,20,25H,11,15H2,1-3H3/t17-,20+/m0/s1
InChIKeyWZWRUHLLHMZFMJ-FXAWDEMLSA-N
XLogP4.23
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]ethyl]-1-methoxy-3-phenylpropan-2-amine?
The IUPAC name of (2R)-N-[(1S)-1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]ethyl]-1-methoxy-3-phenylpropan-2-amine (CID 97332977) is (2R)-N-[(1S)-1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]ethyl]-1-methoxy-3-phenylpropan-2-amine.
What is the SMILES notation for (2R)-N-[(1S)-1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]ethyl]-1-methoxy-3-phenylpropan-2-amine?
The canonical SMILES for (2R)-N-[(1S)-1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]ethyl]-1-methoxy-3-phenylpropan-2-amine is COC[C@@H](Cc1ccccc1)N[C@@H](C)c1ccc(-n2cc(C)cn2)c(F)c1.
What is the InChIKey of (2R)-N-[(1S)-1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]ethyl]-1-methoxy-3-phenylpropan-2-amine?
The InChIKey is WZWRUHLLHMZFMJ-FXAWDEMLSA-N. The full InChI is InChI=1S/C22H26FN3O/c1-16-13-24-26(14-16)22-10-9-19(12-21(22)23)17(2)25-20(15-27-3)11-18-7-5-4-6-8-18/h4-10,12-14,17,20,25H,11,15H2,1-3H3/t17-,20+/m0/s1.
What are the key properties of (2R)-N-[(1S)-1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]ethyl]-1-methoxy-3-phenylpropan-2-amine?
(2R)-N-[(1S)-1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]ethyl]-1-methoxy-3-phenylpropan-2-amine has a molecular weight of 367.47 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]ethyl]-1-methoxy-3-phenylpropan-2-amine is sourced from PubChem (CID 97332977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).