6-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-amine

C16H15F3N2 — CID 146385864

IUPAC6-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-amine
SMILESCc1cc2c(c(N)c1-c1ccnc(C(F)(F)F)c1)CCC2
InChIInChI=1S/C16H15F3N2/c1-9-7-10-3-2-4-12(10)15(20)14(9)11-5-6-21-13(8-11)16(17,18)19/h5-8H,2-4,20H2,1H3
InChIKeyLESAHMCZKBFKQR-UHFFFAOYSA-N
MW292.30 g/mol
LogP4.15
Rot. Bonds1

About 6-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-amine

6-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-amine (PubChem CID 146385864) has the molecular formula C16H15F3N2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 6-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-amine.

Molecular Properties

Compound Name6-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-amine
PubChem CID146385864
Molecular FormulaC16H15F3N2
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Name6-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-amine
SMILESCc1cc2c(c(N)c1-c1ccnc(C(F)(F)F)c1)CCC2
InChIInChI=1S/C16H15F3N2/c1-9-7-10-3-2-4-12(10)15(20)14(9)11-5-6-21-13(8-11)16(17,18)19/h5-8H,2-4,20H2,1H3
InChIKeyLESAHMCZKBFKQR-UHFFFAOYSA-N
XLogP4.15
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-{[(1E)-4-methyl-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539775
(3-Pyridylmethylene)indane 38a
CID 6539814
N-methyl-N-(2-(2-pyridinyl)ethyl)-9H-fluoren-2-amine
CID 409833
4-{[(1E)-6-methyl-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539803
(4-Pyridylmethylene)indane 22b
CID 6539804
N-(2-pyridinylmethylene)-9H-fluoren-2-amine
CID 225630
2-Fluoro-5-(5-propylpyridin-2-yl)aniline
CID 837868
N*6*-Methyl-N*6*-(2-trifluoromethyl-pyridin-4-ylmethyl)-benzo[cd]indole-2,6-diamine
CID 10450905
N,N-dimethyl-2-[3-(pyridin-2-ylmethyl)-1H-inden-2-yl]ethanamine
CID 10880435
3-(2,4,6-Trimethylbenzylidene)anabaseine
CID 11536605
7-Methylisoquinolin-8-amine
CID 44532010
5,8-Dimethylquinoline
CID 17502

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-amine?
The IUPAC name of 6-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-amine (CID 146385864) is 6-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-amine.
What is the SMILES notation for 6-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-amine?
The canonical SMILES for 6-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-amine is Cc1cc2c(c(N)c1-c1ccnc(C(F)(F)F)c1)CCC2.
What is the InChIKey of 6-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-amine?
The InChIKey is LESAHMCZKBFKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2/c1-9-7-10-3-2-4-12(10)15(20)14(9)11-5-6-21-13(8-11)16(17,18)19/h5-8H,2-4,20H2,1H3.
What are the key properties of 6-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-amine?
6-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-amine has a molecular weight of 292.30 g/mol, XLogP of 4.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-amine is sourced from PubChem (CID 146385864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).