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

C17H18ClF2N — CID 45260356

IUPAC3-(3,4-difluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCN(C)C1CC(c2ccc(F)c(F)c2)c2ccccc21.Cl
InChIInChI=1S/C17H17F2N.ClH/c1-20(2)17-10-14(12-5-3-4-6-13(12)17)11-7-8-15(18)16(19)9-11;/h3-9,14,17H,10H2,1-2H3;1H
InChIKeyBBBCRHIGPZEDMV-UHFFFAOYSA-N
MW309.79 g/mol
LogP4.52
Rot. Bonds2

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

3-(3,4-difluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride (PubChem CID 45260356) has the molecular formula C17H18ClF2N and a molecular weight of 309.79 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
PubChem CID45260356
Molecular FormulaC17H18ClF2N
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name3-(3,4-difluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCN(C)C1CC(c2ccc(F)c(F)c2)c2ccccc21.Cl
InChIInChI=1S/C17H17F2N.ClH/c1-20(2)17-10-14(12-5-3-4-6-13(12)17)11-7-8-15(18)16(19)9-11;/h3-9,14,17H,10H2,1-2H3;1H
InChIKeyBBBCRHIGPZEDMV-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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Related Compounds

Dimefadane
CID 21760
1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-1-methyl-5-phenyl-, (-)-
CID 3065151
1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-1-methyl-5-phenyl-, (+)-
CID 3065150
4-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-1,2,2-trimethyl-piperazine
CID 10522247
3-(3-chlorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 45260325
1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-5-phenyl-1-propyl-, (4a-alpha,5-alpha,9b-alpha)-
CID 55875
SK&F 550
CID 162327
2-Fluoro-10-(2-N,N-dimethylaminoethyl)isoindolo[2,1-a]indole (24)
CID 129012324
2,4-Difluoro-10-(2-N,N-dimethylaminoethyl)isoindolo[2,1-a]indole (27)
CID 129012327
[3-(4-Chloro-phenyl)-indan-1-yl]-dimethyl-amine
CID 13543780
Dimefadane hydrochloride
CID 517910
4-[3-(4-Fluoro-phenyl)-indan-1-yl]-1,2,2-trimethyl-piperazine
CID 10246528

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The IUPAC name of 3-(3,4-difluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride (CID 45260356) is 3-(3,4-difluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride.
What is the SMILES notation for 3-(3,4-difluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The canonical SMILES for 3-(3,4-difluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride is CN(C)C1CC(c2ccc(F)c(F)c2)c2ccccc21.Cl.
What is the InChIKey of 3-(3,4-difluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The InChIKey is BBBCRHIGPZEDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N.ClH/c1-20(2)17-10-14(12-5-3-4-6-13(12)17)11-7-8-15(18)16(19)9-11;/h3-9,14,17H,10H2,1-2H3;1H.
What are the key properties of 3-(3,4-difluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
3-(3,4-difluorophenyl)-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 3-(3,4-difluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride is sourced from PubChem (CID 45260356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).