2,3-dihydro-1H-inden-2-yl-(2,3,4-trifluorophenyl)methanamine

C16H14F3N — CID 65410711

IUPAC2,3-dihydro-1H-inden-2-yl-(2,3,4-trifluorophenyl)methanamine
SMILESNC(c1ccc(F)c(F)c1F)C1Cc2ccccc2C1
InChIInChI=1S/C16H14F3N/c17-13-6-5-12(14(18)15(13)19)16(20)11-7-9-3-1-2-4-10(9)8-11/h1-6,11,16H,7-8,20H2
InChIKeyJDYJCCNRIYYQPY-UHFFFAOYSA-N
MW277.29 g/mol
LogP3.52
Rot. Bonds2

About 2,3-dihydro-1H-inden-2-yl-(2,3,4-trifluorophenyl)methanamine

2,3-dihydro-1H-inden-2-yl-(2,3,4-trifluorophenyl)methanamine (PubChem CID 65410711) has the molecular formula C16H14F3N and a molecular weight of 277.29 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-2-yl-(2,3,4-trifluorophenyl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-2-yl-(2,3,4-trifluorophenyl)methanamine
PubChem CID65410711
Molecular FormulaC16H14F3N
Molecular Weight277.29 g/mol
Exact Mass277.11
IUPAC Name2,3-dihydro-1H-inden-2-yl-(2,3,4-trifluorophenyl)methanamine
SMILESNC(c1ccc(F)c(F)c1F)C1Cc2ccccc2C1
InChIInChI=1S/C16H14F3N/c17-13-6-5-12(14(18)15(13)19)16(20)11-7-9-3-1-2-4-10(9)8-11/h1-6,11,16H,7-8,20H2
InChIKeyJDYJCCNRIYYQPY-UHFFFAOYSA-N
XLogP3.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2,3-difluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine
CID 65410517
2,3-dihydro-1H-inden-2-yl-(2-fluorophenyl)methanamine
CID 65409529
(2,5-difluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine
CID 65410116
2,3-dihydro-1-benzothiophen-2-yl-(2,3,4-trifluorophenyl)methanamine
CID 105146408
cycloheptyl-(2,3,4-trifluorophenyl)methanamine
CID 65399083
(R)-cyclopentyl-(2,3,4-trifluorophenyl)methanamine;hydrochloride
CID 171205794
2,3-dihydro-1H-inden-1-yl-(2,3,4-trifluorophenyl)methanamine
CID 65406294
(R)-oxan-4-yl-(2,3,4-trifluorophenyl)methanamine
CID 171248262
(4-methylcyclohexyl)-(2,3,4-trifluorophenyl)methanamine
CID 62965487
(3-bromo-2,6-difluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine
CID 106942637
(3-chloro-2,4-difluorophenyl)-(3,4-dihydro-2H-chromen-3-yl)methanamine
CID 166045392
2,3-dihydro-1H-inden-2-yl-(4-fluoro-3-methylphenyl)methanamine
CID 65411297

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-2-yl-(2,3,4-trifluorophenyl)methanamine?
The IUPAC name of 2,3-dihydro-1H-inden-2-yl-(2,3,4-trifluorophenyl)methanamine (CID 65410711) is 2,3-dihydro-1H-inden-2-yl-(2,3,4-trifluorophenyl)methanamine.
What is the SMILES notation for 2,3-dihydro-1H-inden-2-yl-(2,3,4-trifluorophenyl)methanamine?
The canonical SMILES for 2,3-dihydro-1H-inden-2-yl-(2,3,4-trifluorophenyl)methanamine is NC(c1ccc(F)c(F)c1F)C1Cc2ccccc2C1.
What is the InChIKey of 2,3-dihydro-1H-inden-2-yl-(2,3,4-trifluorophenyl)methanamine?
The InChIKey is JDYJCCNRIYYQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N/c17-13-6-5-12(14(18)15(13)19)16(20)11-7-9-3-1-2-4-10(9)8-11/h1-6,11,16H,7-8,20H2.
What are the key properties of 2,3-dihydro-1H-inden-2-yl-(2,3,4-trifluorophenyl)methanamine?
2,3-dihydro-1H-inden-2-yl-(2,3,4-trifluorophenyl)methanamine has a molecular weight of 277.29 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-2-yl-(2,3,4-trifluorophenyl)methanamine is sourced from PubChem (CID 65410711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).