6-chloro-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroinden-1-amine

C15H19ClF3NO — CID 83066969

IUPAC6-chloro-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroinden-1-amine
SMILESCC1(C)Cc2ccc(Cl)cc2C1NCCOCC(F)(F)F
InChIInChI=1S/C15H19ClF3NO/c1-14(2)8-10-3-4-11(16)7-12(10)13(14)20-5-6-21-9-15(17,18)19/h3-4,7,13,20H,5-6,8-9H2,1-2H3
InChIKeySQMXGQNNABKLPW-UHFFFAOYSA-N
MW321.77 g/mol
LogP4.13
Rot. Bonds5

About 6-chloro-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroinden-1-amine

6-chloro-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroinden-1-amine (PubChem CID 83066969) has the molecular formula C15H19ClF3NO and a molecular weight of 321.77 g/mol. Its IUPAC name is 6-chloro-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroinden-1-amine.

Molecular Properties

Compound Name6-chloro-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroinden-1-amine
PubChem CID83066969
Molecular FormulaC15H19ClF3NO
Molecular Weight321.77 g/mol
Exact Mass321.11
IUPAC Name6-chloro-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroinden-1-amine
SMILESCC1(C)Cc2ccc(Cl)cc2C1NCCOCC(F)(F)F
InChIInChI=1S/C15H19ClF3NO/c1-14(2)8-10-3-4-11(16)7-12(10)13(14)20-5-6-21-9-15(17,18)19/h3-4,7,13,20H,5-6,8-9H2,1-2H3
InChIKeySQMXGQNNABKLPW-UHFFFAOYSA-N
XLogP4.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroinden-1-amine?
The IUPAC name of 6-chloro-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroinden-1-amine (CID 83066969) is 6-chloro-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroinden-1-amine.
What is the SMILES notation for 6-chloro-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroinden-1-amine?
The canonical SMILES for 6-chloro-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroinden-1-amine is CC1(C)Cc2ccc(Cl)cc2C1NCCOCC(F)(F)F.
What is the InChIKey of 6-chloro-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroinden-1-amine?
The InChIKey is SQMXGQNNABKLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF3NO/c1-14(2)8-10-3-4-11(16)7-12(10)13(14)20-5-6-21-9-15(17,18)19/h3-4,7,13,20H,5-6,8-9H2,1-2H3.
What are the key properties of 6-chloro-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroinden-1-amine?
6-chloro-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroinden-1-amine has a molecular weight of 321.77 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroinden-1-amine is sourced from PubChem (CID 83066969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).