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

C15H20F3NO2 — CID 15605604

IUPAC(2S)-2-(aminomethyl)-4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol
SMILESCC(C)(C[C@](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/t14-/m0/s1
InChIKeyFPKQZZQJFCNMIL-AWEZNQCLSA-N
MW303.32 g/mol
LogP2.54
Rot. Bonds4

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

(2S)-2-(aminomethyl)-4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol (PubChem CID 15605604) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is (2S)-2-(aminomethyl)-4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol.

Molecular Properties

Compound Name(2S)-2-(aminomethyl)-4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol
PubChem CID15605604
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name(2S)-2-(aminomethyl)-4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol
SMILESCC(C)(C[C@](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/t14-/m0/s1
InChIKeyFPKQZZQJFCNMIL-AWEZNQCLSA-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

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

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Related Compounds

4-(2,3-dihydro-1-benzofuran-7-yl)-2-[(3,5-dimethylphenyl)methyl]-1,1,1-trifluoro-4-methylpentan-2-ol
CID 10194169
2-(aminomethyl)-4-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol
CID 141203029
7-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran
CID 173236217
4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methyl-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]pentan-2-ol
CID 10410664
1-(3-amino-4-pyridinyl)-6-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-4-(trifluoromethyl)hept-1-yn-4-ol
CID 46939564
2-[4-(2,3-dihydro-1-benzofuran-7-yl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-3,5-dimethyl-1H-pyridin-4-one
CID 91238931
4-(2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-one
CID 114746860
2-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol
CID 143454738
2-[4-(2,3-dihydro-1-benzofuran-7-yl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-1H-indole-5-carbonitrile
CID 22398540
2-(2,3-dihydro-1-benzofuran-7-yl)-2-fluoro-2-phenylethanamine
CID 114747716
3-chloro-1-[4-(2,3-dihydro-1-benzofuran-7-yl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-1,5-naphthyridin-4-one
CID 69247686
3-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine
CID 114747537

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(aminomethyl)-4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol?
The IUPAC name of (2S)-2-(aminomethyl)-4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol (CID 15605604) is (2S)-2-(aminomethyl)-4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol.
What is the SMILES notation for (2S)-2-(aminomethyl)-4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol?
The canonical SMILES for (2S)-2-(aminomethyl)-4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol is CC(C)(C[C@](O)(CN)C(F)(F)F)c1cccc2c1OCC2.
What is the InChIKey of (2S)-2-(aminomethyl)-4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol?
The InChIKey is FPKQZZQJFCNMIL-AWEZNQCLSA-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/t14-/m0/s1.
What are the key properties of (2S)-2-(aminomethyl)-4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol?
(2S)-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 (2S)-2-(aminomethyl)-4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol is sourced from PubChem (CID 15605604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).