1-[5-(trifluoromethoxy)-1H-inden-2-yl]ethanamine

C12H12F3NO — CID 158170863

IUPAC1-[5-(trifluoromethoxy)-1H-inden-2-yl]ethanamine
SMILESCC(N)C1=Cc2cc(OC(F)(F)F)ccc2C1
InChIInChI=1S/C12H12F3NO/c1-7(16)9-4-8-2-3-11(6-10(8)5-9)17-12(13,14)15/h2-3,5-7H,4,16H2,1H3
InChIKeyFXKXESQBXBIBCH-UHFFFAOYSA-N
MW243.23 g/mol
LogP2.87
Rot. Bonds2

About 1-[5-(trifluoromethoxy)-1H-inden-2-yl]ethanamine

1-[5-(trifluoromethoxy)-1H-inden-2-yl]ethanamine (PubChem CID 158170863) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is 1-[5-(trifluoromethoxy)-1H-inden-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(trifluoromethoxy)-1H-inden-2-yl]ethanamine
PubChem CID158170863
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name1-[5-(trifluoromethoxy)-1H-inden-2-yl]ethanamine
SMILESCC(N)C1=Cc2cc(OC(F)(F)F)ccc2C1
InChIInChI=1S/C12H12F3NO/c1-7(16)9-4-8-2-3-11(6-10(8)5-9)17-12(13,14)15/h2-3,5-7H,4,16H2,1H3
InChIKeyFXKXESQBXBIBCH-UHFFFAOYSA-N
XLogP2.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171208716
(1S)-1-[4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 86346348
2-propan-2-yl-6-(trifluoromethoxy)-3H-indole
CID 157181074
1,2-di(propan-2-yl)-4-(trifluoromethoxy)benzene
CID 59455097
1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-amine
CID 139965810
(1S)-2,2,2-trifluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine
CID 171251766
1-[4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]ethanamine;hydrochloride
CID 168665296
2-(2-aminopropyl)-4-(trifluoromethoxy)phenol
CID 170890931
(1S)-2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 66511880
1,2-dimethoxy-4-(trifluoromethoxy)benzene
CID 58342037
(1R)-2,2,2-trideuterio-1-[3-(trifluoromethoxy)phenyl]ethanamine
CID 156699931
2-methyl-1-propan-2-yl-4-(trifluoromethoxy)benzene
CID 59734586

Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethoxy)-1H-inden-2-yl]ethanamine?
The IUPAC name of 1-[5-(trifluoromethoxy)-1H-inden-2-yl]ethanamine (CID 158170863) is 1-[5-(trifluoromethoxy)-1H-inden-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(trifluoromethoxy)-1H-inden-2-yl]ethanamine?
The canonical SMILES for 1-[5-(trifluoromethoxy)-1H-inden-2-yl]ethanamine is CC(N)C1=Cc2cc(OC(F)(F)F)ccc2C1.
What is the InChIKey of 1-[5-(trifluoromethoxy)-1H-inden-2-yl]ethanamine?
The InChIKey is FXKXESQBXBIBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO/c1-7(16)9-4-8-2-3-11(6-10(8)5-9)17-12(13,14)15/h2-3,5-7H,4,16H2,1H3.
What are the key properties of 1-[5-(trifluoromethoxy)-1H-inden-2-yl]ethanamine?
1-[5-(trifluoromethoxy)-1H-inden-2-yl]ethanamine has a molecular weight of 243.23 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethoxy)-1H-inden-2-yl]ethanamine is sourced from PubChem (CID 158170863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).