1-(1,2-dihydroisoquinolin-5-ylamino)-6-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol

C23H25F3N2O2 — CID 141115761

IUPAC1-(1,2-dihydroisoquinolin-5-ylamino)-6-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol
SMILESCOc1ccc2c(c1)C(C)(C)CC(O)(C(F)(F)F)C2Nc1cccc2c1C=CNC2
InChIInChI=1S/C23H25F3N2O2/c1-21(2)13-22(29,23(24,25)26)20(17-8-7-15(30-3)11-18(17)21)28-19-6-4-5-14-12-27-10-9-16(14)19/h4-11,20,27-29H,12-13H2,1-3H3
InChIKeyVLBHJZHISASXAD-UHFFFAOYSA-N
MW418.46 g/mol
LogP4.90
Rot. Bonds3

About 1-(1,2-dihydroisoquinolin-5-ylamino)-6-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol

1-(1,2-dihydroisoquinolin-5-ylamino)-6-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol (PubChem CID 141115761) has the molecular formula C23H25F3N2O2 and a molecular weight of 418.46 g/mol. Its IUPAC name is 1-(1,2-dihydroisoquinolin-5-ylamino)-6-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol.

Molecular Properties

Compound Name1-(1,2-dihydroisoquinolin-5-ylamino)-6-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol
PubChem CID141115761
Molecular FormulaC23H25F3N2O2
Molecular Weight418.46 g/mol
Exact Mass418.19
IUPAC Name1-(1,2-dihydroisoquinolin-5-ylamino)-6-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol
SMILESCOc1ccc2c(c1)C(C)(C)CC(O)(C(F)(F)F)C2Nc1cccc2c1C=CNC2
InChIInChI=1S/C23H25F3N2O2/c1-21(2)13-22(29,23(24,25)26)20(17-8-7-15(30-3)11-18(17)21)28-19-6-4-5-14-12-27-10-9-16(14)19/h4-11,20,27-29H,12-13H2,1-3H3
InChIKeyVLBHJZHISASXAD-UHFFFAOYSA-N
XLogP4.90
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(1,2-dihydroisoquinolin-5-ylamino)-6-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol with MolForge

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Related Compounds

5-[[2-hydroxy-6-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]amino]-2H-isoquinolin-1-one
CID 68680349
1-[(8-fluoro-2-methylquinazolin-5-yl)amino]-6-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol
CID 68679287
5-[[2-hydroxy-7-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]amino]-2H-isoquinolin-1-one
CID 68680726
5-[[6-chloro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]amino]-1-(4-methoxyphenyl)quinolin-2-one
CID 69015445
5-[[6-chloro-2-hydroxy-5-methoxy-4,4,7-trimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]amino]-2H-isoquinolin-1-one
CID 66657326
2-hydroxy-6-methoxy-4,4-dimethyl-2-(trifluoromethyl)-3H-naphthalen-1-one
CID 11955883
6-methoxy-1-(3-methoxyphenyl)-4,4-dimethyl-2,3-dihydro-1H-isoquinoline
CID 112513040
1-[(2-amino-8-fluoroquinolin-5-yl)amino]-6-fluoro-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol
CID 68679832
(1S,2R)-1-[(8-fluoro-2-methylquinazolin-5-yl)amino]-7-methoxy-2-(trifluoromethyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 68681318
5-[[7-chloro-2,5-dihydroxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]amino]-1H-quinolin-2-one
CID 86600755
1-[(7,8-difluoro-2-methylquinazolin-5-yl)amino]-6-fluoro-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol
CID 87539107
5-[[7-chloro-6-fluoro-2,5-dihydroxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]amino]-1H-quinolin-2-one
CID 87093104

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dihydroisoquinolin-5-ylamino)-6-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol?
The IUPAC name of 1-(1,2-dihydroisoquinolin-5-ylamino)-6-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol (CID 141115761) is 1-(1,2-dihydroisoquinolin-5-ylamino)-6-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol.
What is the SMILES notation for 1-(1,2-dihydroisoquinolin-5-ylamino)-6-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol?
The canonical SMILES for 1-(1,2-dihydroisoquinolin-5-ylamino)-6-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol is COc1ccc2c(c1)C(C)(C)CC(O)(C(F)(F)F)C2Nc1cccc2c1C=CNC2.
What is the InChIKey of 1-(1,2-dihydroisoquinolin-5-ylamino)-6-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol?
The InChIKey is VLBHJZHISASXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O2/c1-21(2)13-22(29,23(24,25)26)20(17-8-7-15(30-3)11-18(17)21)28-19-6-4-5-14-12-27-10-9-16(14)19/h4-11,20,27-29H,12-13H2,1-3H3.
What are the key properties of 1-(1,2-dihydroisoquinolin-5-ylamino)-6-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol?
1-(1,2-dihydroisoquinolin-5-ylamino)-6-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol has a molecular weight of 418.46 g/mol, XLogP of 4.90, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dihydroisoquinolin-5-ylamino)-6-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol is sourced from PubChem (CID 141115761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).