3-isoquinolin-5-yloxy-N-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-amine

C19H18F3N3O — CID 135145309

IUPAC3-isoquinolin-5-yloxy-N-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-amine
SMILESCNCCC(Oc1cccc2cnccc12)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C19H18F3N3O/c1-23-9-8-16(14-5-6-18(25-12-14)19(20,21)22)26-17-4-2-3-13-11-24-10-7-15(13)17/h2-7,10-12,16,23H,8-9H2,1H3
InChIKeyRTLGODNTRJMDOX-UHFFFAOYSA-N
MW361.37 g/mol
LogP4.38
Rot. Bonds6

About 3-isoquinolin-5-yloxy-N-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-amine

3-isoquinolin-5-yloxy-N-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-amine (PubChem CID 135145309) has the molecular formula C19H18F3N3O and a molecular weight of 361.37 g/mol. Its IUPAC name is 3-isoquinolin-5-yloxy-N-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name3-isoquinolin-5-yloxy-N-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-amine
PubChem CID135145309
Molecular FormulaC19H18F3N3O
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC Name3-isoquinolin-5-yloxy-N-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-amine
SMILESCNCCC(Oc1cccc2cnccc12)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C19H18F3N3O/c1-23-9-8-16(14-5-6-18(25-12-14)19(20,21)22)26-17-4-2-3-13-11-24-10-7-15(13)17/h2-7,10-12,16,23H,8-9H2,1H3
InChIKeyRTLGODNTRJMDOX-UHFFFAOYSA-N
XLogP4.38
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-isoquinolin-5-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 135145347
but-2-enedioic acid;3-(6-iodonaphthalen-1-yl)oxy-N-methyl-3-pyridin-4-ylpropan-1-amine
CID 66577547
3-(2-isoquinolin-5-ylphenoxy)-N-methylpropan-1-amine
CID 56717167
(2S)-1-isoquinolin-5-yloxypropan-2-amine
CID 69075857
2-isoquinolin-5-yloxybut-3-en-1-ol
CID 166518489
1-isoquinolin-5-yloxy-3-(methylamino)-1-thiophen-2-ylpropan-1-ol
CID 166998235
3-[(2-iodo-3-pyridinyl)oxy]-N-methyl-3-phenylpropan-1-amine
CID 25125568
N-methyl-3-(3-methylthiophen-2-yl)-3-naphthalen-1-yloxypropan-1-amine
CID 54073821
N-(1-pyridin-4-ylethyl)-6-(trifluoromethyl)pyridin-3-amine
CID 82812363
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine chloride
CID 44669843
N-methyl-3-phenyl-3-(2,3,5-trifluoro-4-methylphenoxy)propan-1-amine
CID 87730579
hydron;3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;chloride
CID 74765078

Frequently Asked Questions

What is the IUPAC name of 3-isoquinolin-5-yloxy-N-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-amine?
The IUPAC name of 3-isoquinolin-5-yloxy-N-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-amine (CID 135145309) is 3-isoquinolin-5-yloxy-N-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-amine.
What is the SMILES notation for 3-isoquinolin-5-yloxy-N-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-amine?
The canonical SMILES for 3-isoquinolin-5-yloxy-N-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-amine is CNCCC(Oc1cccc2cnccc12)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 3-isoquinolin-5-yloxy-N-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-amine?
The InChIKey is RTLGODNTRJMDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O/c1-23-9-8-16(14-5-6-18(25-12-14)19(20,21)22)26-17-4-2-3-13-11-24-10-7-15(13)17/h2-7,10-12,16,23H,8-9H2,1H3.
What are the key properties of 3-isoquinolin-5-yloxy-N-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-amine?
3-isoquinolin-5-yloxy-N-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-amine has a molecular weight of 361.37 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isoquinolin-5-yloxy-N-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-amine is sourced from PubChem (CID 135145309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).