2-(aminomethyl)-4-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol

C15H19ClF3NO2 — CID 141203029

IUPAC2-(aminomethyl)-4-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol
SMILESCC(C)(CC(O)(CN)C(F)(F)F)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C15H19ClF3NO2/c1-13(2,7-14(21,8-20)15(17,18)19)11-6-10(16)5-9-3-4-22-12(9)11/h5-6,21H,3-4,7-8,20H2,1-2H3
InChIKeyDJQNBNOQCMUDOG-UHFFFAOYSA-N
MW337.77 g/mol
LogP3.19
Rot. Bonds4

About 2-(aminomethyl)-4-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol

2-(aminomethyl)-4-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol (PubChem CID 141203029) has the molecular formula C15H19ClF3NO2 and a molecular weight of 337.77 g/mol. Its IUPAC name is 2-(aminomethyl)-4-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol.

Molecular Properties

Compound Name2-(aminomethyl)-4-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol
PubChem CID141203029
Molecular FormulaC15H19ClF3NO2
Molecular Weight337.77 g/mol
Exact Mass337.11
IUPAC Name2-(aminomethyl)-4-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol
SMILESCC(C)(CC(O)(CN)C(F)(F)F)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C15H19ClF3NO2/c1-13(2,7-14(21,8-20)15(17,18)19)11-6-10(16)5-9-3-4-22-12(9)11/h5-6,21H,3-4,7-8,20H2,1-2H3
InChIKeyDJQNBNOQCMUDOG-UHFFFAOYSA-N
XLogP3.19
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(aminomethyl)-4-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol with MolForge

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Related Compounds

(2S)-2-(aminomethyl)-4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol
CID 15605604
(2S)-4-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methyl-2-[(4-methylphenyl)sulfanylmethyl]pentan-2-ol
CID 69419561
4-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-2-(furo[2,3-c]pyridin-2-ylmethyl)-4-methylpentan-2-ol
CID 11385127
6-[(Z)-2-amino-6-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-hydroxy-6-methyl-4-(trifluoromethyl)hept-1-enyl]pyridine-2-carboxylic acid
CID 143024595
4-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-2-[(7-fluoro-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-4-methylpentan-2-ol
CID 11213246
(2R)-1,1,1-trifluoro-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-4-methyl-2-(methylsulfanylmethyl)pentan-2-ol
CID 160630712
(2R)-1,1,1-trifluoro-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-(hydroxysulfinothioylmethyl)-4-methylpentan-2-ol
CID 143675348
4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2,4-dimethyl-2-(trifluoromethyl)pentan-1-ol
CID 71098804
4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoic acid
CID 66726115
1,1,1-trifluoro-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methanimidoyl-4-methylpentan-2-ol
CID 141149059
4-(2,3-dihydro-1-benzofuran-7-yl)-2-[(3,5-dimethylphenyl)methyl]-1,1,1-trifluoro-4-methylpentan-2-ol
CID 10194169
4-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,1-difluoro-4-methyl-2-[(6-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)methylamino]pentan-2-ol
CID 67215918

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol?
The IUPAC name of 2-(aminomethyl)-4-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol (CID 141203029) is 2-(aminomethyl)-4-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol.
What is the SMILES notation for 2-(aminomethyl)-4-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol?
The canonical SMILES for 2-(aminomethyl)-4-(5-chloro-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)c1cc(Cl)cc2c1OCC2.
What is the InChIKey of 2-(aminomethyl)-4-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol?
The InChIKey is DJQNBNOQCMUDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF3NO2/c1-13(2,7-14(21,8-20)15(17,18)19)11-6-10(16)5-9-3-4-22-12(9)11/h5-6,21H,3-4,7-8,20H2,1-2H3.
What are the key properties of 2-(aminomethyl)-4-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol?
2-(aminomethyl)-4-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol has a molecular weight of 337.77 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol is sourced from PubChem (CID 141203029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).