3-(4-fluorophenyl)-N,N-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride

C18H18ClF4N — CID 45260301

IUPAC3-(4-fluorophenyl)-N,N-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCN(C)C1CC(c2ccc(F)cc2)c2ccc(C(F)(F)F)cc21.Cl
InChIInChI=1S/C18H17F4N.ClH/c1-23(2)17-10-15(11-3-6-13(19)7-4-11)14-8-5-12(9-16(14)17)18(20,21)22;/h3-9,15,17H,10H2,1-2H3;1H
InChIKeyXLZKLVNMMRJDGB-UHFFFAOYSA-N
MW359.79 g/mol
LogP5.40
Rot. Bonds2

About 3-(4-fluorophenyl)-N,N-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride

3-(4-fluorophenyl)-N,N-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride (PubChem CID 45260301) has the molecular formula C18H18ClF4N and a molecular weight of 359.79 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N,N-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N,N-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride
PubChem CID45260301
Molecular FormulaC18H18ClF4N
Molecular Weight359.79 g/mol
Exact Mass359.11
IUPAC Name3-(4-fluorophenyl)-N,N-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCN(C)C1CC(c2ccc(F)cc2)c2ccc(C(F)(F)F)cc21.Cl
InChIInChI=1S/C18H17F4N.ClH/c1-23(2)17-10-15(11-3-6-13(19)7-4-11)14-8-5-12(9-16(14)17)18(20,21)22;/h3-9,15,17H,10H2,1-2H3;1H
InChIKeyXLZKLVNMMRJDGB-UHFFFAOYSA-N
XLogP5.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.79
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Dimefadane
CID 21760
4-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-1,2,2-trimethyl-piperazine
CID 10522247
Dimefadane hydrochloride
CID 517910
4-[3-(4-Fluoro-phenyl)-indan-1-yl]-1,2,2-trimethyl-piperazine
CID 10246528
4-[7-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-1,2,2-trimethyl-piperazine
CID 10570260
1-[3-(4-Fluoro-phenyl)-6-methyl-indan-1-yl]-3,3-dimethyl-piperazine
CID 10617001
4-[3-(4-Fluoro-phenyl)-6-methyl-indan-1-yl]-1,2,2-trimethyl-piperazine
CID 10641744
1-[3-(4-Fluoro-phenyl)-6-trifluoromethyl-indan-1-yl]-3,3-dimethyl-piperazine
CID 10810514
4-[3-(4-Fluoro-phenyl)-6-trifluoromethyl-indan-1-yl]-1,2,2-trimethyl-piperazine
CID 10835172
1-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-4-methyl-piperazine
CID 13154762
1-[(1R,3S)-6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-4-methylpiperazine
CID 13154764
1-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-4-methylpiperazine;dihydrochloride
CID 20463003

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N,N-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The IUPAC name of 3-(4-fluorophenyl)-N,N-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride (CID 45260301) is 3-(4-fluorophenyl)-N,N-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride.
What is the SMILES notation for 3-(4-fluorophenyl)-N,N-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The canonical SMILES for 3-(4-fluorophenyl)-N,N-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride is CN(C)C1CC(c2ccc(F)cc2)c2ccc(C(F)(F)F)cc21.Cl.
What is the InChIKey of 3-(4-fluorophenyl)-N,N-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The InChIKey is XLZKLVNMMRJDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F4N.ClH/c1-23(2)17-10-15(11-3-6-13(19)7-4-11)14-8-5-12(9-16(14)17)18(20,21)22;/h3-9,15,17H,10H2,1-2H3;1H.
What are the key properties of 3-(4-fluorophenyl)-N,N-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride?
3-(4-fluorophenyl)-N,N-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride has a molecular weight of 359.79 g/mol, XLogP of 5.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N,N-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride is sourced from PubChem (CID 45260301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).