3-(3-methyl-3H-inden-5-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]prop-1-en-2-amine

C22H23F3N2O — CID 142385599

IUPAC3-(3-methyl-3H-inden-5-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]prop-1-en-2-amine
SMILESC=C(Cc1ccc2c(c1)C(C)C=C2)N[C@H](C)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C22H23F3N2O/c1-14-4-6-18-7-5-17(11-20(14)18)10-15(2)27-16(3)21-9-8-19(12-26-21)28-13-22(23,24)25/h4-9,11-12,14,16,27H,2,10,13H2,1,3H3/t14?,16-/m1/s1
InChIKeyMZZMOLKOXGWMPW-BZSJEYESSA-N
MW388.43 g/mol
LogP5.56
Rot. Bonds7

About 3-(3-methyl-3H-inden-5-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]prop-1-en-2-amine

3-(3-methyl-3H-inden-5-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]prop-1-en-2-amine (PubChem CID 142385599) has the molecular formula C22H23F3N2O and a molecular weight of 388.43 g/mol. Its IUPAC name is 3-(3-methyl-3H-inden-5-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]prop-1-en-2-amine.

Molecular Properties

Compound Name3-(3-methyl-3H-inden-5-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]prop-1-en-2-amine
PubChem CID142385599
Molecular FormulaC22H23F3N2O
Molecular Weight388.43 g/mol
Exact Mass388.18
IUPAC Name3-(3-methyl-3H-inden-5-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]prop-1-en-2-amine
SMILESC=C(Cc1ccc2c(c1)C(C)C=C2)N[C@H](C)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C22H23F3N2O/c1-14-4-6-18-7-5-17(11-20(14)18)10-15(2)27-16(3)21-9-8-19(12-26-21)28-13-22(23,24)25/h4-9,11-12,14,16,27H,2,10,13H2,1,3H3/t14?,16-/m1/s1
InChIKeyMZZMOLKOXGWMPW-BZSJEYESSA-N
XLogP5.56
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.43
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pilavapadin
CID 118419773
Suvecaltamide
CID 24765479
2-[4-(3-methylpyrazin-2-yl)phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl]acetamide
CID 42609962
Tta-A2
CID 53317097
3-[(2S)-2-amino-3-(naphthalen-2-yl)propoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 10309398
2-[4-[(3S)-3-fluoropyrrolidin-1-yl]phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl]acetamide
CID 24765959
3-[5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridin-3-yl]-phenylamine
CID 44372111
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-(4-trifluoromethyl-phenyl)-pyridine
CID 44372121
US10155760, Example 45
CID 118419778
US10155760, Example 37
CID 118420200
Aak1-IN-5
CID 118420559
US10155760, Example 125
CID 118429626

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-3H-inden-5-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]prop-1-en-2-amine?
The IUPAC name of 3-(3-methyl-3H-inden-5-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]prop-1-en-2-amine (CID 142385599) is 3-(3-methyl-3H-inden-5-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]prop-1-en-2-amine.
What is the SMILES notation for 3-(3-methyl-3H-inden-5-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]prop-1-en-2-amine?
The canonical SMILES for 3-(3-methyl-3H-inden-5-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]prop-1-en-2-amine is C=C(Cc1ccc2c(c1)C(C)C=C2)N[C@H](C)c1ccc(OCC(F)(F)F)cn1.
What is the InChIKey of 3-(3-methyl-3H-inden-5-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]prop-1-en-2-amine?
The InChIKey is MZZMOLKOXGWMPW-BZSJEYESSA-N. The full InChI is InChI=1S/C22H23F3N2O/c1-14-4-6-18-7-5-17(11-20(14)18)10-15(2)27-16(3)21-9-8-19(12-26-21)28-13-22(23,24)25/h4-9,11-12,14,16,27H,2,10,13H2,1,3H3/t14?,16-/m1/s1.
What are the key properties of 3-(3-methyl-3H-inden-5-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]prop-1-en-2-amine?
3-(3-methyl-3H-inden-5-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]prop-1-en-2-amine has a molecular weight of 388.43 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-3H-inden-5-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]prop-1-en-2-amine is sourced from PubChem (CID 142385599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).