2,3-dihydro-1H-inden-5-yl-[2-(trifluoromethyl)phenyl]methanamine

C17H16F3N — CID 43115595

IUPAC2,3-dihydro-1H-inden-5-yl-[2-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ccc2c(c1)CCC2)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H16F3N/c18-17(19,20)15-7-2-1-6-14(15)16(21)13-9-8-11-4-3-5-12(11)10-13/h1-2,6-10,16H,3-5,21H2
InChIKeyARIBWJLGVOMMAA-UHFFFAOYSA-N
MW291.32 g/mol
LogP4.24
Rot. Bonds2

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

2,3-dihydro-1H-inden-5-yl-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 43115595) has the molecular formula C17H16F3N and a molecular weight of 291.32 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-5-yl-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-5-yl-[2-(trifluoromethyl)phenyl]methanamine
PubChem CID43115595
Molecular FormulaC17H16F3N
Molecular Weight291.32 g/mol
Exact Mass291.12
IUPAC Name2,3-dihydro-1H-inden-5-yl-[2-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ccc2c(c1)CCC2)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H16F3N/c18-17(19,20)15-7-2-1-6-14(15)16(21)13-9-8-11-4-3-5-12(11)10-13/h1-2,6-10,16H,3-5,21H2
InChIKeyARIBWJLGVOMMAA-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dihydro-1H-inden-5-yl-(2-fluorophenyl)methanamine
CID 43115579
(2-bromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43115600
(2-chloro-3-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 81454834
2,3-dihydro-1H-inden-5-yl-(2-methylfuran-3-yl)methanamine
CID 43464481
(3-bromo-4-methylphenyl)-[2-(trifluoromethyl)phenyl]methanamine
CID 115853868
(2,6-difluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43115569
(4-ethylphenyl)-[2-(trifluoromethyl)phenyl]methanamine
CID 43197636
(2,4-difluoro-5-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 79724772
2,3-dihydro-1H-inden-5-ylmethanediamine
CID 116939135
(2,5-dibromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43097516
2,3-dihydro-1H-inden-5-yl-(2,4,6-trifluorophenyl)methanamine
CID 43198708
(2-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine
CID 107288878

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-5-yl-[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of 2,3-dihydro-1H-inden-5-yl-[2-(trifluoromethyl)phenyl]methanamine (CID 43115595) is 2,3-dihydro-1H-inden-5-yl-[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for 2,3-dihydro-1H-inden-5-yl-[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for 2,3-dihydro-1H-inden-5-yl-[2-(trifluoromethyl)phenyl]methanamine is NC(c1ccc2c(c1)CCC2)c1ccccc1C(F)(F)F.
What is the InChIKey of 2,3-dihydro-1H-inden-5-yl-[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is ARIBWJLGVOMMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N/c18-17(19,20)15-7-2-1-6-14(15)16(21)13-9-8-11-4-3-5-12(11)10-13/h1-2,6-10,16H,3-5,21H2.
What are the key properties of 2,3-dihydro-1H-inden-5-yl-[2-(trifluoromethyl)phenyl]methanamine?
2,3-dihydro-1H-inden-5-yl-[2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 291.32 g/mol, XLogP of 4.24, 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-5-yl-[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 43115595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).