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

C16H15Cl3FN — CID 45260284

IUPAC3-(3,4-dichlorophenyl)-6-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCNC1CC(c2ccc(Cl)c(Cl)c2)c2ccc(F)cc21.Cl
InChIInChI=1S/C16H14Cl2FN.ClH/c1-20-16-8-12(9-2-5-14(17)15(18)6-9)11-4-3-10(19)7-13(11)16;/h2-7,12,16,20H,8H2,1H3;1H
InChIKeyVDFJLEHMPGWECD-UHFFFAOYSA-N
MW346.66 g/mol
LogP5.35
Rot. Bonds2

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

3-(3,4-dichlorophenyl)-6-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride (PubChem CID 45260284) has the molecular formula C16H15Cl3FN and a molecular weight of 346.66 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-6-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-6-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
PubChem CID45260284
Molecular FormulaC16H15Cl3FN
Molecular Weight346.66 g/mol
Exact Mass345.03
IUPAC Name3-(3,4-dichlorophenyl)-6-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCNC1CC(c2ccc(Cl)c(Cl)c2)c2ccc(F)cc21.Cl
InChIInChI=1S/C16H14Cl2FN.ClH/c1-20-16-8-12(9-2-5-14(17)15(18)6-9)11-4-3-10(19)7-13(11)16;/h2-7,12,16,20H,8H2,1H3;1H
InChIKeyVDFJLEHMPGWECD-UHFFFAOYSA-N
XLogP5.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.66
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Indatraline
CID 126280
Indatraline hydrochloride
CID 10314472
[3-(3,4-Dichloro-phenyl)-indan-1-yl]-methyl-amine
CID 3703
3-(3,4-Dichlorophenyl)-2,3-dihydro-N-methyl-1H-inden-1-amine hydrochloride
CID 3020938
[3-(3,4-Dichloro-phenyl)-indan-1-yl]-dimethyl-amine
CID 9796539
[3-(3,4-Dichloro-phenyl)-indan-1-yl]-ethyl-amine;chloride
CID 9884474
[3-(4-Chloro-phenyl)-indan-1-yl]-methyl-amine
CID 13543806
3-(3-chlorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 45260325
1-[(1R,3S)-6-chloro-3-(2,3,4,5,6-pentadeuteriophenyl)-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine
CID 89287174
[3-(4-Chloro-phenyl)-indan-1-yl]-dimethyl-amine
CID 13543780
3-(3,4-dichlorophenyl)-N-propyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 13543888
3-(2,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 45260242

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-6-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The IUPAC name of 3-(3,4-dichlorophenyl)-6-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride (CID 45260284) is 3-(3,4-dichlorophenyl)-6-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-6-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The canonical SMILES for 3-(3,4-dichlorophenyl)-6-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride is CNC1CC(c2ccc(Cl)c(Cl)c2)c2ccc(F)cc21.Cl.
What is the InChIKey of 3-(3,4-dichlorophenyl)-6-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The InChIKey is VDFJLEHMPGWECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FN.ClH/c1-20-16-8-12(9-2-5-14(17)15(18)6-9)11-4-3-10(19)7-13(11)16;/h2-7,12,16,20H,8H2,1H3;1H.
What are the key properties of 3-(3,4-dichlorophenyl)-6-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
3-(3,4-dichlorophenyl)-6-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride has a molecular weight of 346.66 g/mol, XLogP of 5.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-6-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride is sourced from PubChem (CID 45260284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).