3-(4-methoxyphenyl)-N,N-dimethyl-4-(trifluoromethyl)isoquinolin-7-amine

C19H17F3N2O — CID 11681742

IUPAC3-(4-methoxyphenyl)-N,N-dimethyl-4-(trifluoromethyl)isoquinolin-7-amine
SMILESCOc1ccc(-c2ncc3cc(N(C)C)ccc3c2C(F)(F)F)cc1
InChIInChI=1S/C19H17F3N2O/c1-24(2)14-6-9-16-13(10-14)11-23-18(17(16)19(20,21)22)12-4-7-15(25-3)8-5-12/h4-11H,1-3H3
InChIKeyHFGBFDQXKQBKSR-UHFFFAOYSA-N
MW346.35 g/mol
LogP5.00
Rot. Bonds3

About 3-(4-methoxyphenyl)-N,N-dimethyl-4-(trifluoromethyl)isoquinolin-7-amine

3-(4-methoxyphenyl)-N,N-dimethyl-4-(trifluoromethyl)isoquinolin-7-amine (PubChem CID 11681742) has the molecular formula C19H17F3N2O and a molecular weight of 346.35 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N,N-dimethyl-4-(trifluoromethyl)isoquinolin-7-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N,N-dimethyl-4-(trifluoromethyl)isoquinolin-7-amine
PubChem CID11681742
Molecular FormulaC19H17F3N2O
Molecular Weight346.35 g/mol
Exact Mass346.13
IUPAC Name3-(4-methoxyphenyl)-N,N-dimethyl-4-(trifluoromethyl)isoquinolin-7-amine
SMILESCOc1ccc(-c2ncc3cc(N(C)C)ccc3c2C(F)(F)F)cc1
InChIInChI=1S/C19H17F3N2O/c1-24(2)14-6-9-16-13(10-14)11-23-18(17(16)19(20,21)22)12-4-7-15(25-3)8-5-12/h4-11H,1-3H3
InChIKeyHFGBFDQXKQBKSR-UHFFFAOYSA-N
XLogP5.00
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Papaverine
CID 4680
Papaverine Hydrochloride
CID 6084
Ethaverine
CID 3280
N-(6-{[1-(4-Bromophenyl)isoquinolin-6-YL]oxy}hexyl)-N-methylprop-2-EN-1-amine
CID 447553
7-Methoxy-3-pyridin-4-yl-quinoline
CID 11776270
Pseudopalmatine
CID 644002
1-[(3,4-Dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methylisoquinolin-2-ium
CID 165013
6,7-Dimethoxy-1-[(4-methoxyphenyl)methyl]isoquinoline
CID 371187
2-{(E)-2-[4-(diethylamino)phenyl]vinyl}-1-ethyl-7-methoxyquinolinium
CID 24761551
Pseudopalmatine Trifluoroacetate
CID 49850522
4-(6-Methoxy-3-methyl-3,4-dihydronaphthalen-2-yl)isoquinoline
CID 25034428
4-(4-((8-(3-(Difluoromethoxy)phenyl)quinolin-6-yl)methoxy)phenyl)-2-methylbutan-2-ol
CID 46933992

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N,N-dimethyl-4-(trifluoromethyl)isoquinolin-7-amine?
The IUPAC name of 3-(4-methoxyphenyl)-N,N-dimethyl-4-(trifluoromethyl)isoquinolin-7-amine (CID 11681742) is 3-(4-methoxyphenyl)-N,N-dimethyl-4-(trifluoromethyl)isoquinolin-7-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-N,N-dimethyl-4-(trifluoromethyl)isoquinolin-7-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-N,N-dimethyl-4-(trifluoromethyl)isoquinolin-7-amine is COc1ccc(-c2ncc3cc(N(C)C)ccc3c2C(F)(F)F)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N,N-dimethyl-4-(trifluoromethyl)isoquinolin-7-amine?
The InChIKey is HFGBFDQXKQBKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O/c1-24(2)14-6-9-16-13(10-14)11-23-18(17(16)19(20,21)22)12-4-7-15(25-3)8-5-12/h4-11H,1-3H3.
What are the key properties of 3-(4-methoxyphenyl)-N,N-dimethyl-4-(trifluoromethyl)isoquinolin-7-amine?
3-(4-methoxyphenyl)-N,N-dimethyl-4-(trifluoromethyl)isoquinolin-7-amine has a molecular weight of 346.35 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N,N-dimethyl-4-(trifluoromethyl)isoquinolin-7-amine is sourced from PubChem (CID 11681742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).