N-methyl-1-[4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-2-yl]methanamine

C20H21F3N2O — CID 11989583

IUPACN-methyl-1-[4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-2-yl]methanamine
SMILESCNCC1CC2C(c3ccccc3)Nc3ccc(C(F)(F)F)cc3C2O1
InChIInChI=1S/C20H21F3N2O/c1-24-11-14-10-16-18(12-5-3-2-4-6-12)25-17-8-7-13(20(21,22)23)9-15(17)19(16)26-14/h2-9,14,16,18-19,24-25H,10-11H2,1H3
InChIKeyZTIVPGXDZLAJMT-UHFFFAOYSA-N
MW362.40 g/mol
LogP4.54
Rot. Bonds3

About N-methyl-1-[4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-2-yl]methanamine

N-methyl-1-[4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-2-yl]methanamine (PubChem CID 11989583) has the molecular formula C20H21F3N2O and a molecular weight of 362.40 g/mol. Its IUPAC name is N-methyl-1-[4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-2-yl]methanamine
PubChem CID11989583
Molecular FormulaC20H21F3N2O
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC NameN-methyl-1-[4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-2-yl]methanamine
SMILESCNCC1CC2C(c3ccccc3)Nc3ccc(C(F)(F)F)cc3C2O1
InChIInChI=1S/C20H21F3N2O/c1-24-11-14-10-16-18(12-5-3-2-4-6-12)25-17-8-7-13(20(21,22)23)9-15(17)19(16)26-14/h2-9,14,16,18-19,24-25H,10-11H2,1H3
InChIKeyZTIVPGXDZLAJMT-UHFFFAOYSA-N
XLogP4.54
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-2-yl]methanamine (CID 11989583) is N-methyl-1-[4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-2-yl]methanamine is CNCC1CC2C(c3ccccc3)Nc3ccc(C(F)(F)F)cc3C2O1.
What is the InChIKey of N-methyl-1-[4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-2-yl]methanamine?
The InChIKey is ZTIVPGXDZLAJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O/c1-24-11-14-10-16-18(12-5-3-2-4-6-12)25-17-8-7-13(20(21,22)23)9-15(17)19(16)26-14/h2-9,14,16,18-19,24-25H,10-11H2,1H3.
What are the key properties of N-methyl-1-[4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-2-yl]methanamine?
N-methyl-1-[4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-2-yl]methanamine has a molecular weight of 362.40 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-2-yl]methanamine is sourced from PubChem (CID 11989583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).