3-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride

C17H16Cl2F3N — CID 45264363

IUPAC3-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCNC1CC(c2ccc(Cl)c(C(F)(F)F)c2)c2ccccc21.Cl
InChIInChI=1S/C17H15ClF3N.ClH/c1-22-16-9-13(11-4-2-3-5-12(11)16)10-6-7-15(18)14(8-10)17(19,20)21;/h2-8,13,16,22H,9H2,1H3;1H
InChIKeyKIYIJTYZUSJMJU-UHFFFAOYSA-N
MW362.22 g/mol
LogP5.58
Rot. Bonds2

About 3-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride

3-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride (PubChem CID 45264363) has the molecular formula C17H16Cl2F3N and a molecular weight of 362.22 g/mol. Its IUPAC name is 3-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride.

Molecular Properties

Compound Name3-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
PubChem CID45264363
Molecular FormulaC17H16Cl2F3N
Molecular Weight362.22 g/mol
Exact Mass361.06
IUPAC Name3-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCNC1CC(c2ccc(Cl)c(C(F)(F)F)c2)c2ccccc21.Cl
InChIInChI=1S/C17H15ClF3N.ClH/c1-22-16-9-13(11-4-2-3-5-12(11)16)10-6-7-15(18)14(8-10)17(19,20)21;/h2-8,13,16,22H,9H2,1H3;1H
InChIKeyKIYIJTYZUSJMJU-UHFFFAOYSA-N
XLogP5.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.22
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The IUPAC name of 3-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride (CID 45264363) is 3-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride.
What is the SMILES notation for 3-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The canonical SMILES for 3-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride is CNC1CC(c2ccc(Cl)c(C(F)(F)F)c2)c2ccccc21.Cl.
What is the InChIKey of 3-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The InChIKey is KIYIJTYZUSJMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3N.ClH/c1-22-16-9-13(11-4-2-3-5-12(11)16)10-6-7-15(18)14(8-10)17(19,20)21;/h2-8,13,16,22H,9H2,1H3;1H.
What are the key properties of 3-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
3-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride has a molecular weight of 362.22 g/mol, XLogP of 5.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride is sourced from PubChem (CID 45264363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).