N-ethyl-6-fluoro-3,3,5,7-tetramethyl-1,2-dihydroinden-1-amine

C15H22FN — CID 79838628

IUPACN-ethyl-6-fluoro-3,3,5,7-tetramethyl-1,2-dihydroinden-1-amine
SMILESCCNC1CC(C)(C)c2cc(C)c(F)c(C)c21
InChIInChI=1S/C15H22FN/c1-6-17-12-8-15(4,5)11-7-9(2)14(16)10(3)13(11)12/h7,12,17H,6,8H2,1-5H3
InChIKeyCATHFMUCVQAGGQ-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.77
Rot. Bonds2

About N-ethyl-6-fluoro-3,3,5,7-tetramethyl-1,2-dihydroinden-1-amine

N-ethyl-6-fluoro-3,3,5,7-tetramethyl-1,2-dihydroinden-1-amine (PubChem CID 79838628) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is N-ethyl-6-fluoro-3,3,5,7-tetramethyl-1,2-dihydroinden-1-amine.

Molecular Properties

Compound NameN-ethyl-6-fluoro-3,3,5,7-tetramethyl-1,2-dihydroinden-1-amine
PubChem CID79838628
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC NameN-ethyl-6-fluoro-3,3,5,7-tetramethyl-1,2-dihydroinden-1-amine
SMILESCCNC1CC(C)(C)c2cc(C)c(F)c(C)c21
InChIInChI=1S/C15H22FN/c1-6-17-12-8-15(4,5)11-7-9(2)14(16)10(3)13(11)12/h7,12,17H,6,8H2,1-5H3
InChIKeyCATHFMUCVQAGGQ-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-ethyl-6-fluoro-3,3,5,7-tetramethyl-1,2-dihydroinden-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-fluoro-3,3,5,7-tetramethyl-1,2-dihydroinden-1-amine?
The IUPAC name of N-ethyl-6-fluoro-3,3,5,7-tetramethyl-1,2-dihydroinden-1-amine (CID 79838628) is N-ethyl-6-fluoro-3,3,5,7-tetramethyl-1,2-dihydroinden-1-amine.
What is the SMILES notation for N-ethyl-6-fluoro-3,3,5,7-tetramethyl-1,2-dihydroinden-1-amine?
The canonical SMILES for N-ethyl-6-fluoro-3,3,5,7-tetramethyl-1,2-dihydroinden-1-amine is CCNC1CC(C)(C)c2cc(C)c(F)c(C)c21.
What is the InChIKey of N-ethyl-6-fluoro-3,3,5,7-tetramethyl-1,2-dihydroinden-1-amine?
The InChIKey is CATHFMUCVQAGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-6-17-12-8-15(4,5)11-7-9(2)14(16)10(3)13(11)12/h7,12,17H,6,8H2,1-5H3.
What are the key properties of N-ethyl-6-fluoro-3,3,5,7-tetramethyl-1,2-dihydroinden-1-amine?
N-ethyl-6-fluoro-3,3,5,7-tetramethyl-1,2-dihydroinden-1-amine has a molecular weight of 235.35 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-fluoro-3,3,5,7-tetramethyl-1,2-dihydroinden-1-amine is sourced from PubChem (CID 79838628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).