1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylamino]-2-(furan-2-yl)propan-2-ol

C17H21F2NO3 — CID 111468736

IUPAC1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylamino]-2-(furan-2-yl)propan-2-ol
SMILESCc1cc(CNCC(C)(O)c2ccco2)cc(C)c1OC(F)F
InChIInChI=1S/C17H21F2NO3/c1-11-7-13(8-12(2)15(11)23-16(18)19)9-20-10-17(3,21)14-5-4-6-22-14/h4-8,16,20-21H,9-10H2,1-3H3
InChIKeyJLEFNQHIBPALBU-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.50
Rot. Bonds7

About 1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylamino]-2-(furan-2-yl)propan-2-ol

1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylamino]-2-(furan-2-yl)propan-2-ol (PubChem CID 111468736) has the molecular formula C17H21F2NO3 and a molecular weight of 325.36 g/mol. Its IUPAC name is 1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylamino]-2-(furan-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylamino]-2-(furan-2-yl)propan-2-ol
PubChem CID111468736
Molecular FormulaC17H21F2NO3
Molecular Weight325.36 g/mol
Exact Mass325.15
IUPAC Name1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylamino]-2-(furan-2-yl)propan-2-ol
SMILESCc1cc(CNCC(C)(O)c2ccco2)cc(C)c1OC(F)F
InChIInChI=1S/C17H21F2NO3/c1-11-7-13(8-12(2)15(11)23-16(18)19)9-20-10-17(3,21)14-5-4-6-22-14/h4-8,16,20-21H,9-10H2,1-3H3
InChIKeyJLEFNQHIBPALBU-UHFFFAOYSA-N
XLogP3.50
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylamino]-2-(furan-2-yl)propan-2-ol with MolForge

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Related Compounds

1-[[3-chloro-4-(difluoromethoxy)phenyl]methylamino]-2-(furan-2-yl)propan-2-ol
CID 111468690
2-(furan-2-yl)-1-[(4-methoxyphenyl)methylamino]propan-2-ol
CID 111468637
2-(furan-2-yl)-1-[(3-methylthiophen-2-yl)methylamino]propan-2-ol
CID 111468669
2-(furan-2-yl)-1-[(5-methylthiophen-2-yl)methylamino]propan-2-ol
CID 111468670
1-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 111468379
(2S)-1-[[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]-2-(furan-2-yl)propan-2-ol
CID 97232870
1-(2-chlorophenyl)-N-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]methanamine
CID 112772544
2-(furan-2-yl)-1-[(4-piperidin-1-ylphenyl)methylamino]propan-2-ol
CID 111468727
1-(2-ethylbutylamino)-2-(furan-2-yl)propan-2-ol
CID 75387516
1-[(3-chloro-4-prop-2-enoxyphenyl)methylamino]-2-(furan-2-yl)propan-2-ol
CID 111468776
1-[(2,3-dichlorophenyl)methylamino]-2-(furan-2-yl)propan-2-ol
CID 111468634
2-[[[2-(furan-2-yl)-2-hydroxypropyl]amino]methyl]-6-methylpyridin-3-ol
CID 111468723

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylamino]-2-(furan-2-yl)propan-2-ol?
The IUPAC name of 1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylamino]-2-(furan-2-yl)propan-2-ol (CID 111468736) is 1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylamino]-2-(furan-2-yl)propan-2-ol.
What is the SMILES notation for 1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylamino]-2-(furan-2-yl)propan-2-ol?
The canonical SMILES for 1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylamino]-2-(furan-2-yl)propan-2-ol is Cc1cc(CNCC(C)(O)c2ccco2)cc(C)c1OC(F)F.
What is the InChIKey of 1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylamino]-2-(furan-2-yl)propan-2-ol?
The InChIKey is JLEFNQHIBPALBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2NO3/c1-11-7-13(8-12(2)15(11)23-16(18)19)9-20-10-17(3,21)14-5-4-6-22-14/h4-8,16,20-21H,9-10H2,1-3H3.
What are the key properties of 1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylamino]-2-(furan-2-yl)propan-2-ol?
1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylamino]-2-(furan-2-yl)propan-2-ol has a molecular weight of 325.36 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylamino]-2-(furan-2-yl)propan-2-ol is sourced from PubChem (CID 111468736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).