1-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

C20H28FNO3 — CID 24713535

IUPAC1-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCc1ccc(CN(Cc2ccc(F)cc2)CC(O)COC(C)(C)C)o1
InChIInChI=1S/C20H28FNO3/c1-15-5-10-19(25-15)13-22(11-16-6-8-17(21)9-7-16)12-18(23)14-24-20(2,3)4/h5-10,18,23H,11-14H2,1-4H3
InChIKeyHHDKOGIWZFVWBV-UHFFFAOYSA-N
MW349.45 g/mol
LogP3.91
Rot. Bonds8

About 1-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

1-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (PubChem CID 24713535) has the molecular formula C20H28FNO3 and a molecular weight of 349.45 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
PubChem CID24713535
Molecular FormulaC20H28FNO3
Molecular Weight349.45 g/mol
Exact Mass349.21
IUPAC Name1-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCc1ccc(CN(Cc2ccc(F)cc2)CC(O)COC(C)(C)C)o1
InChIInChI=1S/C20H28FNO3/c1-15-5-10-19(25-15)13-22(11-16-6-8-17(21)9-7-16)12-18(23)14-24-20(2,3)4/h5-10,18,23H,11-14H2,1-4H3
InChIKeyHHDKOGIWZFVWBV-UHFFFAOYSA-N
XLogP3.91
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The IUPAC name of 1-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (CID 24713535) is 1-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The canonical SMILES for 1-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is Cc1ccc(CN(Cc2ccc(F)cc2)CC(O)COC(C)(C)C)o1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The InChIKey is HHDKOGIWZFVWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FNO3/c1-15-5-10-19(25-15)13-22(11-16-6-8-17(21)9-7-16)12-18(23)14-24-20(2,3)4/h5-10,18,23H,11-14H2,1-4H3.
What are the key properties of 1-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
1-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol has a molecular weight of 349.45 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is sourced from PubChem (CID 24713535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).