2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-amine

C24H23F3N2 — CID 143221506

IUPAC2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-amine
SMILESCN1CCc2cc(NCc3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2C1
InChIInChI=1S/C24H23F3N2/c1-29-13-12-18-14-22(11-8-20(18)16-29)28-15-19-4-2-3-5-23(19)17-6-9-21(10-7-17)24(25,26)27/h2-11,14,28H,12-13,15-16H2,1H3
InChIKeyJXXCRMDZZCERSR-UHFFFAOYSA-N
MW396.46 g/mol
LogP5.97
Rot. Bonds4

About 2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-amine

2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-amine (PubChem CID 143221506) has the molecular formula C24H23F3N2 and a molecular weight of 396.46 g/mol. Its IUPAC name is 2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-amine
PubChem CID143221506
Molecular FormulaC24H23F3N2
Molecular Weight396.46 g/mol
Exact Mass396.18
IUPAC Name2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-amine
SMILESCN1CCc2cc(NCc3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2C1
InChIInChI=1S/C24H23F3N2/c1-29-13-12-18-14-22(11-8-20(18)16-29)28-15-19-4-2-3-5-23(19)17-6-9-21(10-7-17)24(25,26)27/h2-11,14,28H,12-13,15-16H2,1H3
InChIKeyJXXCRMDZZCERSR-UHFFFAOYSA-N
XLogP5.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.46
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-amine?
The IUPAC name of 2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-amine (CID 143221506) is 2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-amine.
What is the SMILES notation for 2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-amine?
The canonical SMILES for 2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-amine is CN1CCc2cc(NCc3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2C1.
What is the InChIKey of 2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-amine?
The InChIKey is JXXCRMDZZCERSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2/c1-29-13-12-18-14-22(11-8-20(18)16-29)28-15-19-4-2-3-5-23(19)17-6-9-21(10-7-17)24(25,26)27/h2-11,14,28H,12-13,15-16H2,1H3.
What are the key properties of 2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-amine?
2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-amine has a molecular weight of 396.46 g/mol, XLogP of 5.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-amine is sourced from PubChem (CID 143221506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).