(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone

C21H20F3NO2 — CID 154742389

IUPAC(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone
SMILESCc1ccc2c(c1)CN(C(=O)C1CC1c1ccccc1OC(F)(F)F)CC2
InChIInChI=1S/C21H20F3NO2/c1-13-6-7-14-8-9-25(12-15(14)10-13)20(26)18-11-17(18)16-4-2-3-5-19(16)27-21(22,23)24/h2-7,10,17-18H,8-9,11-12H2,1H3
InChIKeyXAZNAKUFRYHTIJ-UHFFFAOYSA-N
MW375.39 g/mol
LogP4.58
Rot. Bonds3

About (7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone

(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone (PubChem CID 154742389) has the molecular formula C21H20F3NO2 and a molecular weight of 375.39 g/mol. Its IUPAC name is (7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone.

Molecular Properties

Compound Name(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone
PubChem CID154742389
Molecular FormulaC21H20F3NO2
Molecular Weight375.39 g/mol
Exact Mass375.14
IUPAC Name(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone
SMILESCc1ccc2c(c1)CN(C(=O)C1CC1c1ccccc1OC(F)(F)F)CC2
InChIInChI=1S/C21H20F3NO2/c1-13-6-7-14-8-9-25(12-15(14)10-13)20(26)18-11-17(18)16-4-2-3-5-19(16)27-21(22,23)24/h2-7,10,17-18H,8-9,11-12H2,1H3
InChIKeyXAZNAKUFRYHTIJ-UHFFFAOYSA-N
XLogP4.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone with MolForge

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Related Compounds

(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone
CID 139018594
[(3S)-3-aminopyrrolidin-1-yl]-[(1S,2R)-2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone
CID 124574239
[(3S)-3-aminopyrrolidin-1-yl]-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone;hydrochloride
CID 119934176
[(3R)-3-aminopyrrolidin-1-yl]-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone;hydrochloride
CID 119409603
[4-(ethylaminomethyl)piperidin-1-yl]-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone
CID 119644550
(3-aminopiperidin-1-yl)-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone
CID 119377556
[4-(cyclopropylmethylamino)piperidin-1-yl]-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone;hydrochloride
CID 119621945
3-[(3S)-1-[(1S,2R)-2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]piperidin-3-yl]propanoic acid
CID 125149881
trans-(1S,2S)-N-(1,2,4-triazol-4-yl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 97260176
cis-(1R,2S)-N-(1,2,4-triazol-4-yl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 97260178
methyl 7-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 20871848
ethyl 7-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 168897909

Frequently Asked Questions

What is the IUPAC name of (7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone?
The IUPAC name of (7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone (CID 154742389) is (7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone.
What is the SMILES notation for (7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone?
The canonical SMILES for (7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone is Cc1ccc2c(c1)CN(C(=O)C1CC1c1ccccc1OC(F)(F)F)CC2.
What is the InChIKey of (7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone?
The InChIKey is XAZNAKUFRYHTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3NO2/c1-13-6-7-14-8-9-25(12-15(14)10-13)20(26)18-11-17(18)16-4-2-3-5-19(16)27-21(22,23)24/h2-7,10,17-18H,8-9,11-12H2,1H3.
What are the key properties of (7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone?
(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone has a molecular weight of 375.39 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone is sourced from PubChem (CID 154742389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).