6-methoxy-N-(3,4,5-trifluorophenyl)-2,3-dihydro-1H-inden-1-amine

C16H14F3NO — CID 79370051

IUPAC6-methoxy-N-(3,4,5-trifluorophenyl)-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(Nc1cc(F)c(F)c(F)c1)CC2
InChIInChI=1S/C16H14F3NO/c1-21-11-4-2-9-3-5-15(12(9)8-11)20-10-6-13(17)16(19)14(18)7-10/h2,4,6-8,15,20H,3,5H2,1H3
InChIKeyZFEUJWDKDKMYPG-UHFFFAOYSA-N
MW293.29 g/mol
LogP4.21
Rot. Bonds3

About 6-methoxy-N-(3,4,5-trifluorophenyl)-2,3-dihydro-1H-inden-1-amine

6-methoxy-N-(3,4,5-trifluorophenyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 79370051) has the molecular formula C16H14F3NO and a molecular weight of 293.29 g/mol. Its IUPAC name is 6-methoxy-N-(3,4,5-trifluorophenyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-methoxy-N-(3,4,5-trifluorophenyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID79370051
Molecular FormulaC16H14F3NO
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC Name6-methoxy-N-(3,4,5-trifluorophenyl)-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(Nc1cc(F)c(F)c(F)c1)CC2
InChIInChI=1S/C16H14F3NO/c1-21-11-4-2-9-3-5-15(12(9)8-11)20-10-6-13(17)16(19)14(18)7-10/h2,4,6-8,15,20H,3,5H2,1H3
InChIKeyZFEUJWDKDKMYPG-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79367397
6-methoxy-N-(4-methylsulfanylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 79367211
N-(4-bromo-3,5-dimethylphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 107572282
N-(5-bromo-2,4-difluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 102852883
N-(2,6-dichloro-4-fluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 83078051
N-(4-fluoro-2-methoxyphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79370032
6-methoxy-N-(4-propylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 79369357
6-methoxy-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
CID 79369623
N-(2-chloro-4-fluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79367032
N-(3-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239496
N-cyclopropyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366110
N-(2-chlorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366654

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(3,4,5-trifluorophenyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-methoxy-N-(3,4,5-trifluorophenyl)-2,3-dihydro-1H-inden-1-amine (CID 79370051) is 6-methoxy-N-(3,4,5-trifluorophenyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-methoxy-N-(3,4,5-trifluorophenyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-methoxy-N-(3,4,5-trifluorophenyl)-2,3-dihydro-1H-inden-1-amine is COc1ccc2c(c1)C(Nc1cc(F)c(F)c(F)c1)CC2.
What is the InChIKey of 6-methoxy-N-(3,4,5-trifluorophenyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is ZFEUJWDKDKMYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO/c1-21-11-4-2-9-3-5-15(12(9)8-11)20-10-6-13(17)16(19)14(18)7-10/h2,4,6-8,15,20H,3,5H2,1H3.
What are the key properties of 6-methoxy-N-(3,4,5-trifluorophenyl)-2,3-dihydro-1H-inden-1-amine?
6-methoxy-N-(3,4,5-trifluorophenyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 293.29 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(3,4,5-trifluorophenyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79370051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).