1-(propan-2-ylamino)-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol

C16H20F3N3O2 — CID 12878476

IUPAC1-(propan-2-ylamino)-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol
SMILESCC(C)NCC(O)COc1ccc(-c2ncc(C(F)(F)F)[nH]2)cc1
InChIInChI=1S/C16H20F3N3O2/c1-10(2)20-7-12(23)9-24-13-5-3-11(4-6-13)15-21-8-14(22-15)16(17,18)19/h3-6,8,10,12,20,23H,7,9H2,1-2H3,(H,21,22)
InChIKeyKUFROPWNSIOOLI-UHFFFAOYSA-N
MW343.35 g/mol
LogP2.83
Rot. Bonds7

About 1-(propan-2-ylamino)-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol

1-(propan-2-ylamino)-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol (PubChem CID 12878476) has the molecular formula C16H20F3N3O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is 1-(propan-2-ylamino)-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(propan-2-ylamino)-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol
PubChem CID12878476
Molecular FormulaC16H20F3N3O2
Molecular Weight343.35 g/mol
Exact Mass343.15
IUPAC Name1-(propan-2-ylamino)-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol
SMILESCC(C)NCC(O)COc1ccc(-c2ncc(C(F)(F)F)[nH]2)cc1
InChIInChI=1S/C16H20F3N3O2/c1-10(2)20-7-12(23)9-24-13-5-3-11(4-6-13)15-21-8-14(22-15)16(17,18)19/h3-6,8,10,12,20,23H,7,9H2,1-2H3,(H,21,22)
InChIKeyKUFROPWNSIOOLI-UHFFFAOYSA-N
XLogP2.83
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(propan-2-ylamino)-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol with MolForge

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Related Compounds

(2S)-1-(tert-butylamino)-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol
CID 12878477
1-(4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 16812220
1-[4-(1-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 155667891
4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenol
CID 6328341
1-chloro-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol
CID 12878473
(2R)-1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 91927663
1-[4-[[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 44537247
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
(2S)-1-[4-(hydroxymethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 93481255
1-(4-bromophenoxy)-3-(propan-2-ylamino)propan-2-ol chloride
CID 46863817
2-[4-(chloromethyl)phenyl]-5-(trifluoromethyl)-1H-imidazole
CID 170707449
1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol;ethanol
CID 70528605

Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylamino)-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol?
The IUPAC name of 1-(propan-2-ylamino)-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol (CID 12878476) is 1-(propan-2-ylamino)-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-(propan-2-ylamino)-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol?
The canonical SMILES for 1-(propan-2-ylamino)-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol is CC(C)NCC(O)COc1ccc(-c2ncc(C(F)(F)F)[nH]2)cc1.
What is the InChIKey of 1-(propan-2-ylamino)-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol?
The InChIKey is KUFROPWNSIOOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O2/c1-10(2)20-7-12(23)9-24-13-5-3-11(4-6-13)15-21-8-14(22-15)16(17,18)19/h3-6,8,10,12,20,23H,7,9H2,1-2H3,(H,21,22).
What are the key properties of 1-(propan-2-ylamino)-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol?
1-(propan-2-ylamino)-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol has a molecular weight of 343.35 g/mol, XLogP of 2.83, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylamino)-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol is sourced from PubChem (CID 12878476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).