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

C16H14F3N — CID 65406294

IUPAC2,3-dihydro-1H-inden-1-yl-(2,3,4-trifluorophenyl)methanamine
SMILESNC(c1ccc(F)c(F)c1F)C1CCc2ccccc21
InChIInChI=1S/C16H14F3N/c17-13-8-7-12(14(18)15(13)19)16(20)11-6-5-9-3-1-2-4-10(9)11/h1-4,7-8,11,16H,5-6,20H2
InChIKeyGHSASKHHDBWACM-UHFFFAOYSA-N
MW277.29 g/mol
LogP3.83
Rot. Bonds2

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

2,3-dihydro-1H-inden-1-yl-(2,3,4-trifluorophenyl)methanamine (PubChem CID 65406294) has the molecular formula C16H14F3N and a molecular weight of 277.29 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-1-yl-(2,3,4-trifluorophenyl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-1-yl-(2,3,4-trifluorophenyl)methanamine
PubChem CID65406294
Molecular FormulaC16H14F3N
Molecular Weight277.29 g/mol
Exact Mass277.11
IUPAC Name2,3-dihydro-1H-inden-1-yl-(2,3,4-trifluorophenyl)methanamine
SMILESNC(c1ccc(F)c(F)c1F)C1CCc2ccccc21
InChIInChI=1S/C16H14F3N/c17-13-8-7-12(14(18)15(13)19)16(20)11-6-5-9-3-1-2-4-10(9)11/h1-4,7-8,11,16H,5-6,20H2
InChIKeyGHSASKHHDBWACM-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
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

(3,4-difluorophenyl)-(2,3-dihydro-1H-inden-1-yl)methanamine
CID 65405327
2,3-dihydro-1H-inden-1-yl-(4-fluoro-2-methylphenyl)methanamine
CID 65406101
2,3-dihydro-1H-inden-2-yl-(2,3,4-trifluorophenyl)methanamine
CID 65410711
(4-bromo-3-chloro-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 106762496
2,3-dihydro-1-benzothiophen-2-yl-(2,3,4-trifluorophenyl)methanamine
CID 105146408
(2-chloro-4,5-difluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 107476058
1-(2,3-dihydro-1H-inden-1-yl)ethanamine
CID 23332534
2,3-dihydro-1H-inden-1-yl(thiophen-2-yl)methanamine
CID 65403962
(2,3-difluoro-4-methylphenyl)-(2,3-dihydro-1H-inden-1-yl)methanol
CID 107512914
[(2,3-difluoro-4-methylphenyl)-(2,3-dihydro-1H-inden-1-yl)methyl]hydrazine
CID 107516416
(R)-cyclopentyl-(2,3,4-trifluorophenyl)methanamine;hydrochloride
CID 171205794
2,3-dihydro-1H-inden-1-yl(isoquinolin-5-yl)methanamine
CID 65405520

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-1-yl-(2,3,4-trifluorophenyl)methanamine?
The IUPAC name of 2,3-dihydro-1H-inden-1-yl-(2,3,4-trifluorophenyl)methanamine (CID 65406294) is 2,3-dihydro-1H-inden-1-yl-(2,3,4-trifluorophenyl)methanamine.
What is the SMILES notation for 2,3-dihydro-1H-inden-1-yl-(2,3,4-trifluorophenyl)methanamine?
The canonical SMILES for 2,3-dihydro-1H-inden-1-yl-(2,3,4-trifluorophenyl)methanamine is NC(c1ccc(F)c(F)c1F)C1CCc2ccccc21.
What is the InChIKey of 2,3-dihydro-1H-inden-1-yl-(2,3,4-trifluorophenyl)methanamine?
The InChIKey is GHSASKHHDBWACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N/c17-13-8-7-12(14(18)15(13)19)16(20)11-6-5-9-3-1-2-4-10(9)11/h1-4,7-8,11,16H,5-6,20H2.
What are the key properties of 2,3-dihydro-1H-inden-1-yl-(2,3,4-trifluorophenyl)methanamine?
2,3-dihydro-1H-inden-1-yl-(2,3,4-trifluorophenyl)methanamine has a molecular weight of 277.29 g/mol, XLogP of 3.83, 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-1-yl-(2,3,4-trifluorophenyl)methanamine is sourced from PubChem (CID 65406294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).