1,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]isoquinolin-8-amine

C19H17F3N2O3 — CID 69439162

IUPAC1,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]isoquinolin-8-amine
SMILESCOc1cc(N)c2c(OC)ncc(C)c2c1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H17F3N2O3/c1-10-9-24-18(26-3)16-13(23)8-14(25-2)17(15(10)16)27-12-6-4-5-11(7-12)19(20,21)22/h4-9H,23H2,1-3H3
InChIKeySNRWONUETLVASZ-UHFFFAOYSA-N
MW378.35 g/mol
LogP4.95
Rot. Bonds4

About 1,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]isoquinolin-8-amine

1,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]isoquinolin-8-amine (PubChem CID 69439162) has the molecular formula C19H17F3N2O3 and a molecular weight of 378.35 g/mol. Its IUPAC name is 1,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]isoquinolin-8-amine.

Molecular Properties

Compound Name1,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]isoquinolin-8-amine
PubChem CID69439162
Molecular FormulaC19H17F3N2O3
Molecular Weight378.35 g/mol
Exact Mass378.12
IUPAC Name1,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]isoquinolin-8-amine
SMILESCOc1cc(N)c2c(OC)ncc(C)c2c1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H17F3N2O3/c1-10-9-24-18(26-3)16-13(23)8-14(25-2)17(15(10)16)27-12-6-4-5-11(7-12)19(20,21)22/h4-9H,23H2,1-3H3
InChIKeySNRWONUETLVASZ-UHFFFAOYSA-N
XLogP4.95
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-methyl-4-[3-(trifluoromethyl)phenoxy]pyridin-2-amine
CID 155344405
tert-butyl N-[4-[[1,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]isoquinolin-8-yl]amino]pentyl]carbamate
CID 69411664
2-methoxy-6-[3-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 43262396
2,6-dimethoxy-4-methyl-8-nitro-5-[3-(trifluoromethyl)phenoxy]quinoline
CID 11058632
5-[2,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine
CID 121380099
2,6-dimethoxy-4-[[[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]amino]methyl]phenol
CID 118707112
4-N-[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]hexane-1,4-diamine
CID 13268306
5-amino-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid
CID 81446828
4-methyl-5-[3-(trifluoromethyl)phenoxy]quinoline
CID 151866789
5-methoxy-2-pyridin-2-yl-4-[3-(trifluoromethyl)phenoxy]pyrimidine
CID 3792008
5-methoxy-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one
CID 103241247
5,6-dimethyl-1-[3-(trifluoromethyl)phenoxy]isoquinoline
CID 71178034

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]isoquinolin-8-amine?
The IUPAC name of 1,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]isoquinolin-8-amine (CID 69439162) is 1,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]isoquinolin-8-amine.
What is the SMILES notation for 1,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]isoquinolin-8-amine?
The canonical SMILES for 1,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]isoquinolin-8-amine is COc1cc(N)c2c(OC)ncc(C)c2c1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]isoquinolin-8-amine?
The InChIKey is SNRWONUETLVASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3/c1-10-9-24-18(26-3)16-13(23)8-14(25-2)17(15(10)16)27-12-6-4-5-11(7-12)19(20,21)22/h4-9H,23H2,1-3H3.
What are the key properties of 1,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]isoquinolin-8-amine?
1,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]isoquinolin-8-amine has a molecular weight of 378.35 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]isoquinolin-8-amine is sourced from PubChem (CID 69439162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).