1-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene-1,5-diamine

C16H15F3N2 — CID 79735267

IUPAC1-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene-1,5-diamine
SMILESNc1ccc2c(c1)CCC2Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H15F3N2/c17-16(18,19)13-3-1-2-4-15(13)21-14-8-5-10-9-11(20)6-7-12(10)14/h1-4,6-7,9,14,21H,5,8,20H2
InChIKeyDWYNNGUJAKHASC-UHFFFAOYSA-N
MW292.30 g/mol
LogP4.39
Rot. Bonds2

About 1-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene-1,5-diamine

1-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 79735267) has the molecular formula C16H15F3N2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 1-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID79735267
Molecular FormulaC16H15F3N2
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Name1-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene-1,5-diamine
SMILESNc1ccc2c(c1)CCC2Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H15F3N2/c17-16(18,19)13-3-1-2-4-15(13)21-14-8-5-10-9-11(20)6-7-12(10)14/h1-4,6-7,9,14,21H,5,8,20H2
InChIKeyDWYNNGUJAKHASC-UHFFFAOYSA-N
XLogP4.39
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]benzamide
CID 79741931
1-N-[2-(2-methoxyethyl)phenyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 102903875
N-(2-tert-butylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116530861
1-N-(2-methyl-3-pyridinyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79740883
1-N-quinolin-2-yl-2,3-dihydro-1H-indene-1,5-diamine
CID 79723678
1-N-(3-chloro-4-pyridinyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79840923
1-N-(4-fluoro-2-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79725762
1-N-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79737247
1-N-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79742028
1-N-(2,4-dibromo-5-methoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 103412279
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3,3,3-trifluoropropanamide
CID 79740816
1-N-[(1S)-1-phenylethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 81351089

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene-1,5-diamine (CID 79735267) is 1-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene-1,5-diamine is Nc1ccc2c(c1)CCC2Nc1ccccc1C(F)(F)F.
What is the InChIKey of 1-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is DWYNNGUJAKHASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2/c17-16(18,19)13-3-1-2-4-15(13)21-14-8-5-10-9-11(20)6-7-12(10)14/h1-4,6-7,9,14,21H,5,8,20H2.
What are the key properties of 1-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene-1,5-diamine?
1-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene-1,5-diamine has a molecular weight of 292.30 g/mol, XLogP of 4.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 79735267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).