N-ethyl-5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-amine

C12H14F3N — CID 10331389

IUPACN-ethyl-5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-amine
SMILESCCNC1Cc2ccc(C(F)(F)F)cc2C1
InChIInChI=1S/C12H14F3N/c1-2-16-11-6-8-3-4-10(12(13,14)15)5-9(8)7-11/h3-5,11,16H,2,6-7H2,1H3
InChIKeyPHTXVQQRWJXYPP-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.78
Rot. Bonds2

About N-ethyl-5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-amine

N-ethyl-5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-amine (PubChem CID 10331389) has the molecular formula C12H14F3N and a molecular weight of 229.24 g/mol. Its IUPAC name is N-ethyl-5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-amine
PubChem CID10331389
Molecular FormulaC12H14F3N
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC NameN-ethyl-5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-amine
SMILESCCNC1Cc2ccc(C(F)(F)F)cc2C1
InChIInChI=1S/C12H14F3N/c1-2-16-11-6-8-3-4-10(12(13,14)15)5-9(8)7-11/h3-5,11,16H,2,6-7H2,1H3
InChIKeyPHTXVQQRWJXYPP-UHFFFAOYSA-N
XLogP2.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-ethyl-5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-amine (CID 10331389) is N-ethyl-5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-ethyl-5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-ethyl-5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-amine is CCNC1Cc2ccc(C(F)(F)F)cc2C1.
What is the InChIKey of N-ethyl-5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-amine?
The InChIKey is PHTXVQQRWJXYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N/c1-2-16-11-6-8-3-4-10(12(13,14)15)5-9(8)7-11/h3-5,11,16H,2,6-7H2,1H3.
What are the key properties of N-ethyl-5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-amine?
N-ethyl-5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-amine has a molecular weight of 229.24 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 10331389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).