2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroinden-2-amine

C17H16F3N — CID 62619932

IUPAC2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroinden-2-amine
SMILESNC1(Cc2ccc(C(F)(F)F)cc2)Cc2ccccc2C1
InChIInChI=1S/C17H16F3N/c18-17(19,20)15-7-5-12(6-8-15)9-16(21)10-13-3-1-2-4-14(13)11-16/h1-8H,9-11,21H2
InChIKeyXFNQHKGTYWYVBK-UHFFFAOYSA-N
MW291.32 g/mol
LogP3.74
Rot. Bonds2

About 2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroinden-2-amine

2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroinden-2-amine (PubChem CID 62619932) has the molecular formula C17H16F3N and a molecular weight of 291.32 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroinden-2-amine.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroinden-2-amine
PubChem CID62619932
Molecular FormulaC17H16F3N
Molecular Weight291.32 g/mol
Exact Mass291.12
IUPAC Name2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroinden-2-amine
SMILESNC1(Cc2ccc(C(F)(F)F)cc2)Cc2ccccc2C1
InChIInChI=1S/C17H16F3N/c18-17(19,20)15-7-5-12(6-8-15)9-16(21)10-13-3-1-2-4-14(13)11-16/h1-8H,9-11,21H2
InChIKeyXFNQHKGTYWYVBK-UHFFFAOYSA-N
XLogP3.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroinden-2-amine?
The IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroinden-2-amine (CID 62619932) is 2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroinden-2-amine.
What is the SMILES notation for 2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroinden-2-amine?
The canonical SMILES for 2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroinden-2-amine is NC1(Cc2ccc(C(F)(F)F)cc2)Cc2ccccc2C1.
What is the InChIKey of 2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroinden-2-amine?
The InChIKey is XFNQHKGTYWYVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N/c18-17(19,20)15-7-5-12(6-8-15)9-16(21)10-13-3-1-2-4-14(13)11-16/h1-8H,9-11,21H2.
What are the key properties of 2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroinden-2-amine?
2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroinden-2-amine has a molecular weight of 291.32 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroinden-2-amine is sourced from PubChem (CID 62619932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).