(2R)-1-[4-[3-[(1R)-1-(3-fluorophenyl)ethyl]-2H-imidazol-1-yl]phenoxy]propan-2-amine

C20H24FN3O — CID 175189785

IUPAC(2R)-1-[4-[3-[(1R)-1-(3-fluorophenyl)ethyl]-2H-imidazol-1-yl]phenoxy]propan-2-amine
SMILESC[C@H](c1cccc(F)c1)N1C=CN(c2ccc(OC[C@@H](C)N)cc2)C1
InChIInChI=1S/C20H24FN3O/c1-15(22)13-25-20-8-6-19(7-9-20)24-11-10-23(14-24)16(2)17-4-3-5-18(21)12-17/h3-12,15-16H,13-14,22H2,1-2H3/t15-,16-/m1/s1
InChIKeyMOLFONQYOZXGRL-HZPDHXFCSA-N
MW341.43 g/mol
LogP3.86
Rot. Bonds6

About (2R)-1-[4-[3-[(1R)-1-(3-fluorophenyl)ethyl]-2H-imidazol-1-yl]phenoxy]propan-2-amine

(2R)-1-[4-[3-[(1R)-1-(3-fluorophenyl)ethyl]-2H-imidazol-1-yl]phenoxy]propan-2-amine (PubChem CID 175189785) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is (2R)-1-[4-[3-[(1R)-1-(3-fluorophenyl)ethyl]-2H-imidazol-1-yl]phenoxy]propan-2-amine.

Molecular Properties

Compound Name(2R)-1-[4-[3-[(1R)-1-(3-fluorophenyl)ethyl]-2H-imidazol-1-yl]phenoxy]propan-2-amine
PubChem CID175189785
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name(2R)-1-[4-[3-[(1R)-1-(3-fluorophenyl)ethyl]-2H-imidazol-1-yl]phenoxy]propan-2-amine
SMILESC[C@H](c1cccc(F)c1)N1C=CN(c2ccc(OC[C@@H](C)N)cc2)C1
InChIInChI=1S/C20H24FN3O/c1-15(22)13-25-20-8-6-19(7-9-20)24-11-10-23(14-24)16(2)17-4-3-5-18(21)12-17/h3-12,15-16H,13-14,22H2,1-2H3/t15-,16-/m1/s1
InChIKeyMOLFONQYOZXGRL-HZPDHXFCSA-N
XLogP3.86
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[3-[(1R)-1-(3-fluorophenyl)ethyl]-2H-imidazol-1-yl]phenoxy]propan-2-amine?
The IUPAC name of (2R)-1-[4-[3-[(1R)-1-(3-fluorophenyl)ethyl]-2H-imidazol-1-yl]phenoxy]propan-2-amine (CID 175189785) is (2R)-1-[4-[3-[(1R)-1-(3-fluorophenyl)ethyl]-2H-imidazol-1-yl]phenoxy]propan-2-amine.
What is the SMILES notation for (2R)-1-[4-[3-[(1R)-1-(3-fluorophenyl)ethyl]-2H-imidazol-1-yl]phenoxy]propan-2-amine?
The canonical SMILES for (2R)-1-[4-[3-[(1R)-1-(3-fluorophenyl)ethyl]-2H-imidazol-1-yl]phenoxy]propan-2-amine is C[C@H](c1cccc(F)c1)N1C=CN(c2ccc(OC[C@@H](C)N)cc2)C1.
What is the InChIKey of (2R)-1-[4-[3-[(1R)-1-(3-fluorophenyl)ethyl]-2H-imidazol-1-yl]phenoxy]propan-2-amine?
The InChIKey is MOLFONQYOZXGRL-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H24FN3O/c1-15(22)13-25-20-8-6-19(7-9-20)24-11-10-23(14-24)16(2)17-4-3-5-18(21)12-17/h3-12,15-16H,13-14,22H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of (2R)-1-[4-[3-[(1R)-1-(3-fluorophenyl)ethyl]-2H-imidazol-1-yl]phenoxy]propan-2-amine?
(2R)-1-[4-[3-[(1R)-1-(3-fluorophenyl)ethyl]-2H-imidazol-1-yl]phenoxy]propan-2-amine has a molecular weight of 341.43 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[3-[(1R)-1-(3-fluorophenyl)ethyl]-2H-imidazol-1-yl]phenoxy]propan-2-amine is sourced from PubChem (CID 175189785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).