N-methyl-3-(4-morpholin-4-yl-2-pyridinyl)-5-(trifluoromethyl)-1H-inden-4-amine

C20H20F3N3O — CID 163960905

IUPACN-methyl-3-(4-morpholin-4-yl-2-pyridinyl)-5-(trifluoromethyl)-1H-inden-4-amine
SMILESCNc1c(C(F)(F)F)ccc2c1C(c1cc(N3CCOCC3)ccn1)=CC2
InChIInChI=1S/C20H20F3N3O/c1-24-19-16(20(21,22)23)5-3-13-2-4-15(18(13)19)17-12-14(6-7-25-17)26-8-10-27-11-9-26/h3-7,12,24H,2,8-11H2,1H3
InChIKeySHIHWVLGAGMIJL-UHFFFAOYSA-N
MW375.39 g/mol
LogP3.97
Rot. Bonds3

About N-methyl-3-(4-morpholin-4-yl-2-pyridinyl)-5-(trifluoromethyl)-1H-inden-4-amine

N-methyl-3-(4-morpholin-4-yl-2-pyridinyl)-5-(trifluoromethyl)-1H-inden-4-amine (PubChem CID 163960905) has the molecular formula C20H20F3N3O and a molecular weight of 375.39 g/mol. Its IUPAC name is N-methyl-3-(4-morpholin-4-yl-2-pyridinyl)-5-(trifluoromethyl)-1H-inden-4-amine.

Molecular Properties

Compound NameN-methyl-3-(4-morpholin-4-yl-2-pyridinyl)-5-(trifluoromethyl)-1H-inden-4-amine
PubChem CID163960905
Molecular FormulaC20H20F3N3O
Molecular Weight375.39 g/mol
Exact Mass375.16
IUPAC NameN-methyl-3-(4-morpholin-4-yl-2-pyridinyl)-5-(trifluoromethyl)-1H-inden-4-amine
SMILESCNc1c(C(F)(F)F)ccc2c1C(c1cc(N3CCOCC3)ccn1)=CC2
InChIInChI=1S/C20H20F3N3O/c1-24-19-16(20(21,22)23)5-3-13-2-4-15(18(13)19)17-12-14(6-7-25-17)26-8-10-27-11-9-26/h3-7,12,24H,2,8-11H2,1H3
InChIKeySHIHWVLGAGMIJL-UHFFFAOYSA-N
XLogP3.97
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-Morpholin-4-ylethyl)benzo(g)quinolin-4-amine
CID 182791
Benzo(g)quinolin-4-amine, N-(3-(4-morpholinyl)propyl)-
CID 181834
4-[2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethyl]morpholine
CID 10969696
N-[(2-ethylphenyl)methyl]-5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]quinolin-4-amine
CID 145993854
N-(3-morpholin-4-ylpropyl)-7-(trifluoromethyl)quinolin-4-amine
CID 46933780
4-[(3-Pyridin-2-ylphenyl)methyl]-2-(trifluoromethyl)morpholine
CID 56911921
N-methyl-N-(3-morpholin-4-ylpropyl)-7-(trifluoromethyl)quinolin-4-amine
CID 172447995
N-methyl-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)-7-(trifluoromethyl)quinolin-4-amine
CID 172448303
N-methyl-N-(4-methyl-1-morpholin-4-ylpentan-2-yl)-7-(trifluoromethyl)quinolin-4-amine
CID 172468879
(R)-N-(1-(3-(difluoromethyl)-2-fluorophenyl)ethyl)-6-morpholinoquinolin-4-amine
CID 171658353
4-[6-(Morpholin-4-ium-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine
CID 59301466
2-[2-(Morpholin-4-ylmethyl)phenyl]pyridin-4-amine
CID 72915146

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-morpholin-4-yl-2-pyridinyl)-5-(trifluoromethyl)-1H-inden-4-amine?
The IUPAC name of N-methyl-3-(4-morpholin-4-yl-2-pyridinyl)-5-(trifluoromethyl)-1H-inden-4-amine (CID 163960905) is N-methyl-3-(4-morpholin-4-yl-2-pyridinyl)-5-(trifluoromethyl)-1H-inden-4-amine.
What is the SMILES notation for N-methyl-3-(4-morpholin-4-yl-2-pyridinyl)-5-(trifluoromethyl)-1H-inden-4-amine?
The canonical SMILES for N-methyl-3-(4-morpholin-4-yl-2-pyridinyl)-5-(trifluoromethyl)-1H-inden-4-amine is CNc1c(C(F)(F)F)ccc2c1C(c1cc(N3CCOCC3)ccn1)=CC2.
What is the InChIKey of N-methyl-3-(4-morpholin-4-yl-2-pyridinyl)-5-(trifluoromethyl)-1H-inden-4-amine?
The InChIKey is SHIHWVLGAGMIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O/c1-24-19-16(20(21,22)23)5-3-13-2-4-15(18(13)19)17-12-14(6-7-25-17)26-8-10-27-11-9-26/h3-7,12,24H,2,8-11H2,1H3.
What are the key properties of N-methyl-3-(4-morpholin-4-yl-2-pyridinyl)-5-(trifluoromethyl)-1H-inden-4-amine?
N-methyl-3-(4-morpholin-4-yl-2-pyridinyl)-5-(trifluoromethyl)-1H-inden-4-amine has a molecular weight of 375.39 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-morpholin-4-yl-2-pyridinyl)-5-(trifluoromethyl)-1H-inden-4-amine is sourced from PubChem (CID 163960905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).