[4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,7,8,9b-octahydrofuro[3,2-c]quinolin-2-yl]methanamine

C19H21F3N2O — CID 71193636

IUPAC[4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,7,8,9b-octahydrofuro[3,2-c]quinolin-2-yl]methanamine
SMILESNCC1CC2C(O1)C1=CC(C(F)(F)F)CC=C1NC2c1ccccc1
InChIInChI=1S/C19H21F3N2O/c20-19(21,22)12-6-7-16-14(8-12)18-15(9-13(10-23)25-18)17(24-16)11-4-2-1-3-5-11/h1-5,7-8,12-13,15,17-18,24H,6,9-10,23H2
InChIKeyHIFPRDLULYEWRF-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.46
Rot. Bonds2

About [4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,7,8,9b-octahydrofuro[3,2-c]quinolin-2-yl]methanamine

[4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,7,8,9b-octahydrofuro[3,2-c]quinolin-2-yl]methanamine (PubChem CID 71193636) has the molecular formula C19H21F3N2O and a molecular weight of 350.38 g/mol. Its IUPAC name is [4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,7,8,9b-octahydrofuro[3,2-c]quinolin-2-yl]methanamine.

Molecular Properties

Compound Name[4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,7,8,9b-octahydrofuro[3,2-c]quinolin-2-yl]methanamine
PubChem CID71193636
Molecular FormulaC19H21F3N2O
Molecular Weight350.38 g/mol
Exact Mass350.16
IUPAC Name[4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,7,8,9b-octahydrofuro[3,2-c]quinolin-2-yl]methanamine
SMILESNCC1CC2C(O1)C1=CC(C(F)(F)F)CC=C1NC2c1ccccc1
InChIInChI=1S/C19H21F3N2O/c20-19(21,22)12-6-7-16-14(8-12)18-15(9-13(10-23)25-18)17(24-16)11-4-2-1-3-5-11/h1-5,7-8,12-13,15,17-18,24H,6,9-10,23H2
InChIKeyHIFPRDLULYEWRF-UHFFFAOYSA-N
XLogP3.46
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,7,8,9b-octahydrofuro[3,2-c]quinolin-2-yl]methanamine?
The IUPAC name of [4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,7,8,9b-octahydrofuro[3,2-c]quinolin-2-yl]methanamine (CID 71193636) is [4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,7,8,9b-octahydrofuro[3,2-c]quinolin-2-yl]methanamine.
What is the SMILES notation for [4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,7,8,9b-octahydrofuro[3,2-c]quinolin-2-yl]methanamine?
The canonical SMILES for [4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,7,8,9b-octahydrofuro[3,2-c]quinolin-2-yl]methanamine is NCC1CC2C(O1)C1=CC(C(F)(F)F)CC=C1NC2c1ccccc1.
What is the InChIKey of [4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,7,8,9b-octahydrofuro[3,2-c]quinolin-2-yl]methanamine?
The InChIKey is HIFPRDLULYEWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O/c20-19(21,22)12-6-7-16-14(8-12)18-15(9-13(10-23)25-18)17(24-16)11-4-2-1-3-5-11/h1-5,7-8,12-13,15,17-18,24H,6,9-10,23H2.
What are the key properties of [4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,7,8,9b-octahydrofuro[3,2-c]quinolin-2-yl]methanamine?
[4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,7,8,9b-octahydrofuro[3,2-c]quinolin-2-yl]methanamine has a molecular weight of 350.38 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,7,8,9b-octahydrofuro[3,2-c]quinolin-2-yl]methanamine is sourced from PubChem (CID 71193636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).