N-phenyl-6-azaspiro[3.4]octan-2-amine;2,2,2-trifluoroacetate

C15H18F3N2O2- — CID 171922421

IUPACN-phenyl-6-azaspiro[3.4]octan-2-amine;2,2,2-trifluoroacetate
SMILESO=C([O-])C(F)(F)F.c1ccc(NC2CC3(CCNC3)C2)cc1
InChIInChI=1S/C13H18N2.C2HF3O2/c1-2-4-11(5-3-1)15-12-8-13(9-12)6-7-14-10-13;3-2(4,5)1(6)7/h1-5,12,14-15H,6-10H2;(H,6,7)/p-1
InChIKeyJKVRUHZJLUSLRU-UHFFFAOYSA-M
MW315.31 g/mol
LogP1.54
Rot. Bonds2

About N-phenyl-6-azaspiro[3.4]octan-2-amine;2,2,2-trifluoroacetate

N-phenyl-6-azaspiro[3.4]octan-2-amine;2,2,2-trifluoroacetate (PubChem CID 171922421) has the molecular formula C15H18F3N2O2- and a molecular weight of 315.31 g/mol. Its IUPAC name is N-phenyl-6-azaspiro[3.4]octan-2-amine;2,2,2-trifluoroacetate.

Molecular Properties

Compound NameN-phenyl-6-azaspiro[3.4]octan-2-amine;2,2,2-trifluoroacetate
PubChem CID171922421
Molecular FormulaC15H18F3N2O2-
Molecular Weight315.31 g/mol
Exact Mass315.13
IUPAC NameN-phenyl-6-azaspiro[3.4]octan-2-amine;2,2,2-trifluoroacetate
SMILESO=C([O-])C(F)(F)F.c1ccc(NC2CC3(CCNC3)C2)cc1
InChIInChI=1S/C13H18N2.C2HF3O2/c1-2-4-11(5-3-1)15-12-8-13(9-12)6-7-14-10-13;3-2(4,5)1(6)7/h1-5,12,14-15H,6-10H2;(H,6,7)/p-1
InChIKeyJKVRUHZJLUSLRU-UHFFFAOYSA-M
XLogP1.54
TPSA64.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-phenyl-6-azaspiro[3.4]octan-2-amine;2,2,2-trifluoroacetate with MolForge

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

Launch Full Analysis

Related Compounds

4-(6-azaspiro[3.4]octan-2-ylamino)-N-methylbenzamide
CID 152830437
4-(2-azaspiro[4.4]nonan-8-ylamino)-N-methylbenzamide
CID 152949444
4-(6-azaspiro[3.4]octan-2-ylamino)-2,3-difluoro-N-methylbenzamide
CID 164823975
2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 175831728
N-(6-azaspiro[3.4]octan-2-yl)-2H-benzotriazol-5-amine
CID 163710297
6-azaspiro[3.4]octan-2-yl 2,2,2-trifluoroacetate
CID 155670355
6-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 90185681
2-(6-azaspiro[3.4]octan-2-ylamino)-N-methylpyrimidine-5-carboxamide
CID 149127001
cis-(1R,3R)-3-anilino-1-phenylcyclopentane-1-carboxylate
CID 6944468
2-(3-hydroxypyrrolidin-3-yl)-N-phenylacetamide
CID 84724654
2-(4-aminophenyl)-2-methylpropanedinitrile;2-[4-(6-azaspiro[3.4]octan-2-ylamino)phenyl]-2-methylpropanedinitrile;tert-butyl 2-[4-(1,1-dicyanoethyl)anilino]-6-azaspiro[3.4]octane-6-carboxylate;tert-butyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate;2-methyl-2-(4-nitrophenyl)propanedinitrile
CID 165042913
3-phenyl-3-(trifluoromethyl)pyrrolidine
CID 131256316

Frequently Asked Questions

What is the IUPAC name of N-phenyl-6-azaspiro[3.4]octan-2-amine;2,2,2-trifluoroacetate?
The IUPAC name of N-phenyl-6-azaspiro[3.4]octan-2-amine;2,2,2-trifluoroacetate (CID 171922421) is N-phenyl-6-azaspiro[3.4]octan-2-amine;2,2,2-trifluoroacetate.
What is the SMILES notation for N-phenyl-6-azaspiro[3.4]octan-2-amine;2,2,2-trifluoroacetate?
The canonical SMILES for N-phenyl-6-azaspiro[3.4]octan-2-amine;2,2,2-trifluoroacetate is O=C([O-])C(F)(F)F.c1ccc(NC2CC3(CCNC3)C2)cc1.
What is the InChIKey of N-phenyl-6-azaspiro[3.4]octan-2-amine;2,2,2-trifluoroacetate?
The InChIKey is JKVRUHZJLUSLRU-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H18N2.C2HF3O2/c1-2-4-11(5-3-1)15-12-8-13(9-12)6-7-14-10-13;3-2(4,5)1(6)7/h1-5,12,14-15H,6-10H2;(H,6,7)/p-1.
What are the key properties of N-phenyl-6-azaspiro[3.4]octan-2-amine;2,2,2-trifluoroacetate?
N-phenyl-6-azaspiro[3.4]octan-2-amine;2,2,2-trifluoroacetate has a molecular weight of 315.31 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-6-azaspiro[3.4]octan-2-amine;2,2,2-trifluoroacetate is sourced from PubChem (CID 171922421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).