2-(aminomethyl)-4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol

C15H20F3NO2 — CID 73199765

IUPAC2-(aminomethyl)-4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol
SMILESCC(C)(CC(O)(CN)C(F)(F)F)c1cccc2c1OCC2
InChIInChI=1S/C15H20F3NO2/c1-13(2,8-14(20,9-19)15(16,17)18)11-5-3-4-10-6-7-21-12(10)11/h3-5,20H,6-9,19H2,1-2H3
InChIKeyFPKQZZQJFCNMIL-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.54
Rot. Bonds4

About 2-(aminomethyl)-4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol

2-(aminomethyl)-4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol (PubChem CID 73199765) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-(aminomethyl)-4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol.

Molecular Properties

Compound Name2-(aminomethyl)-4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol
PubChem CID73199765
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name2-(aminomethyl)-4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol
SMILESCC(C)(CC(O)(CN)C(F)(F)F)c1cccc2c1OCC2
InChIInChI=1S/C15H20F3NO2/c1-13(2,8-14(20,9-19)15(16,17)18)11-5-3-4-10-6-7-21-12(10)11/h3-5,20H,6-9,19H2,1-2H3
InChIKeyFPKQZZQJFCNMIL-UHFFFAOYSA-N
XLogP2.54
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol?
The IUPAC name of 2-(aminomethyl)-4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol (CID 73199765) is 2-(aminomethyl)-4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol.
What is the SMILES notation for 2-(aminomethyl)-4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol?
The canonical SMILES for 2-(aminomethyl)-4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol is CC(C)(CC(O)(CN)C(F)(F)F)c1cccc2c1OCC2.
What is the InChIKey of 2-(aminomethyl)-4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol?
The InChIKey is FPKQZZQJFCNMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-13(2,8-14(20,9-19)15(16,17)18)11-5-3-4-10-6-7-21-12(10)11/h3-5,20H,6-9,19H2,1-2H3.
What are the key properties of 2-(aminomethyl)-4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol?
2-(aminomethyl)-4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol has a molecular weight of 303.32 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol is sourced from PubChem (CID 73199765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).