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

C17H18ClF2N — CID 45260285

IUPAC6-fluoro-3-(4-fluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCN(C)C1CC(c2ccc(F)cc2)c2ccc(F)cc21.Cl
InChIInChI=1S/C17H17F2N.ClH/c1-20(2)17-10-15(11-3-5-12(18)6-4-11)14-8-7-13(19)9-16(14)17;/h3-9,15,17H,10H2,1-2H3;1H
InChIKeyCGECTQJRJHIQML-UHFFFAOYSA-N
MW309.79 g/mol
LogP4.52
Rot. Bonds2

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

6-fluoro-3-(4-fluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride (PubChem CID 45260285) has the molecular formula C17H18ClF2N and a molecular weight of 309.79 g/mol. Its IUPAC name is 6-fluoro-3-(4-fluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride.

Molecular Properties

Compound Name6-fluoro-3-(4-fluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
PubChem CID45260285
Molecular FormulaC17H18ClF2N
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name6-fluoro-3-(4-fluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCN(C)C1CC(c2ccc(F)cc2)c2ccc(F)cc21.Cl
InChIInChI=1S/C17H17F2N.ClH/c1-20(2)17-10-15(11-3-5-12(18)6-4-11)14-8-7-13(19)9-16(14)17;/h3-9,15,17H,10H2,1-2H3;1H
InChIKeyCGECTQJRJHIQML-UHFFFAOYSA-N
XLogP4.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(4-fluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The IUPAC name of 6-fluoro-3-(4-fluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride (CID 45260285) is 6-fluoro-3-(4-fluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride.
What is the SMILES notation for 6-fluoro-3-(4-fluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The canonical SMILES for 6-fluoro-3-(4-fluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride is CN(C)C1CC(c2ccc(F)cc2)c2ccc(F)cc21.Cl.
What is the InChIKey of 6-fluoro-3-(4-fluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The InChIKey is CGECTQJRJHIQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N.ClH/c1-20(2)17-10-15(11-3-5-12(18)6-4-11)14-8-7-13(19)9-16(14)17;/h3-9,15,17H,10H2,1-2H3;1H.
What are the key properties of 6-fluoro-3-(4-fluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
6-fluoro-3-(4-fluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride has a molecular weight of 309.79 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(4-fluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride is sourced from PubChem (CID 45260285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).