5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-2-amine

C17H16F3N — CID 174685755

IUPAC5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-2-amine
SMILESNC1Cc2ccc(Cc3cccc(C(F)(F)F)c3)cc2C1
InChIInChI=1S/C17H16F3N/c18-17(19,20)15-3-1-2-11(8-15)6-12-4-5-13-9-16(21)10-14(13)7-12/h1-5,7-8,16H,6,9-10,21H2
InChIKeyPOTLAUUJMPKIQQ-UHFFFAOYSA-N
MW291.32 g/mol
LogP3.72
Rot. Bonds2

About 5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-2-amine

5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 174685755) has the molecular formula C17H16F3N and a molecular weight of 291.32 g/mol. Its IUPAC name is 5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID174685755
Molecular FormulaC17H16F3N
Molecular Weight291.32 g/mol
Exact Mass291.12
IUPAC Name5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-2-amine
SMILESNC1Cc2ccc(Cc3cccc(C(F)(F)F)c3)cc2C1
InChIInChI=1S/C17H16F3N/c18-17(19,20)15-3-1-2-11(8-15)6-12-4-5-13-9-16(21)10-14(13)7-12/h1-5,7-8,16H,6,9-10,21H2
InChIKeyPOTLAUUJMPKIQQ-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene
CID 122368794
[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]methanamine
CID 115029003
4-[[3-(trifluoromethyl)phenyl]methyl]benzonitrile
CID 162534916
3-[[3-(trifluoromethyl)phenyl]methyl]cyclohex-2-en-1-amine
CID 65171795
(2S)-7-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 131605067
[4-(aminomethyl)phenyl]methanamine;cyclohexanamine;N,1-dimethylpiperidin-4-amine;[3-(trifluoromethyl)phenyl]methanamine
CID 70122063
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 119905166
2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 121010377
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 24904810
potassium trifluoro-[[3-(trifluoromethyl)phenyl]methyl]boranuide
CID 63701463
1-methyl-2-(trifluoromethoxy)-4-[[3-(trifluoromethyl)phenyl]methyl]benzene
CID 138534397
3-[[3-(trifluoromethyl)phenyl]methyl]cyclohept-2-en-1-one
CID 107382752

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-2-amine (CID 174685755) is 5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-2-amine is NC1Cc2ccc(Cc3cccc(C(F)(F)F)c3)cc2C1.
What is the InChIKey of 5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is POTLAUUJMPKIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N/c18-17(19,20)15-3-1-2-11(8-15)6-12-4-5-13-9-16(21)10-14(13)7-12/h1-5,7-8,16H,6,9-10,21H2.
What are the key properties of 5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-2-amine?
5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 291.32 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 174685755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).