N-(4-phenylcyclohexyl)azetidin-3-amine;2,2,2-trifluoroacetic acid

C17H23F3N2O2 — CID 86646680

IUPACN-(4-phenylcyclohexyl)azetidin-3-amine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ccc(C2CCC(NC3CNC3)CC2)cc1
InChIInChI=1S/C15H22N2.C2HF3O2/c1-2-4-12(5-3-1)13-6-8-14(9-7-13)17-15-10-16-11-15;3-2(4,5)1(6)7/h1-5,13-17H,6-11H2;(H,6,7)
InChIKeyQFNILYIOFJWPPV-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.91
Rot. Bonds3

About N-(4-phenylcyclohexyl)azetidin-3-amine;2,2,2-trifluoroacetic acid

N-(4-phenylcyclohexyl)azetidin-3-amine;2,2,2-trifluoroacetic acid (PubChem CID 86646680) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is N-(4-phenylcyclohexyl)azetidin-3-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(4-phenylcyclohexyl)azetidin-3-amine;2,2,2-trifluoroacetic acid
PubChem CID86646680
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC NameN-(4-phenylcyclohexyl)azetidin-3-amine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ccc(C2CCC(NC3CNC3)CC2)cc1
InChIInChI=1S/C15H22N2.C2HF3O2/c1-2-4-12(5-3-1)13-6-8-14(9-7-13)17-15-10-16-11-15;3-2(4,5)1(6)7/h1-5,13-17H,6-11H2;(H,6,7)
InChIKeyQFNILYIOFJWPPV-UHFFFAOYSA-N
XLogP2.91
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Diphenylmethyl)azetidin-3-amine acetate (1:1)
CID 11858466
3-(4-Methylphenyl)azetidine;2,2,2-trifluoroacetic acid
CID 155819917
3-(3-Ethylphenyl)azetidine, trifluoroacetic acid
CID 165995953
2-Phenethylazetidine 2,2,2-trifluoroacetate
CID 177800775
4-Phenylpiperidine;2,2,2-trifluoroacetic acid
CID 11311890
2-[[3-Phenyl-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetic acid
CID 21019856
2-[[4-(4-Fluorophenyl)cyclohexyl]amino]acetic acid
CID 21090442
2-[[4-[4-(Trifluoromethyl)phenyl]cyclohexyl]amino]acetic acid
CID 21090443
1-(4-Phenylcyclohexyl)piperazine;2,2,2-trifluoroacetic acid
CID 21182439
1-(2,2-Diphenylethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 22182392
1-(3,3-Diphenylpropyl)piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 22254650
1-(3-Phenylbutyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 22254657

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylcyclohexyl)azetidin-3-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(4-phenylcyclohexyl)azetidin-3-amine;2,2,2-trifluoroacetic acid (CID 86646680) is N-(4-phenylcyclohexyl)azetidin-3-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(4-phenylcyclohexyl)azetidin-3-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(4-phenylcyclohexyl)azetidin-3-amine;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1ccc(C2CCC(NC3CNC3)CC2)cc1.
What is the InChIKey of N-(4-phenylcyclohexyl)azetidin-3-amine;2,2,2-trifluoroacetic acid?
The InChIKey is QFNILYIOFJWPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2.C2HF3O2/c1-2-4-12(5-3-1)13-6-8-14(9-7-13)17-15-10-16-11-15;3-2(4,5)1(6)7/h1-5,13-17H,6-11H2;(H,6,7).
What are the key properties of N-(4-phenylcyclohexyl)azetidin-3-amine;2,2,2-trifluoroacetic acid?
N-(4-phenylcyclohexyl)azetidin-3-amine;2,2,2-trifluoroacetic acid has a molecular weight of 344.38 g/mol, XLogP of 2.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylcyclohexyl)azetidin-3-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 86646680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).