N-[[4-(trifluoromethyl)phenyl]methyl]-1-azabicyclo[3.2.1]octan-4-amine

C15H19F3N2 — CID 105364574

IUPACN-[[4-(trifluoromethyl)phenyl]methyl]-1-azabicyclo[3.2.1]octan-4-amine
SMILESFC(F)(F)c1ccc(CNC2CCN3CCC2C3)cc1
InChIInChI=1S/C15H19F3N2/c16-15(17,18)13-3-1-11(2-4-13)9-19-14-6-8-20-7-5-12(14)10-20/h1-4,12,14,19H,5-10H2
InChIKeySQRHAMUEPDJTEE-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.89
Rot. Bonds3

About N-[[4-(trifluoromethyl)phenyl]methyl]-1-azabicyclo[3.2.1]octan-4-amine

N-[[4-(trifluoromethyl)phenyl]methyl]-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105364574) has the molecular formula C15H19F3N2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[[4-(trifluoromethyl)phenyl]methyl]-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound NameN-[[4-(trifluoromethyl)phenyl]methyl]-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105364574
Molecular FormulaC15H19F3N2
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC NameN-[[4-(trifluoromethyl)phenyl]methyl]-1-azabicyclo[3.2.1]octan-4-amine
SMILESFC(F)(F)c1ccc(CNC2CCN3CCC2C3)cc1
InChIInChI=1S/C15H19F3N2/c16-15(17,18)13-3-1-11(2-4-13)9-19-14-6-8-20-7-5-12(14)10-20/h1-4,12,14,19H,5-10H2
InChIKeySQRHAMUEPDJTEE-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(difluoromethoxy)phenyl]methyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105363768
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 115350227
N-[(4-ethylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 17158935
2-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]oxolan-3-amine
CID 103864489
N-[[4-(trifluoromethyl)phenyl]methyl]cyclopentanamine
CID 4264836
(3R)-N-[(4-methylsulfanylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 834550
N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 79740953
4-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]-N-methylbenzamide
CID 43121641
2-[[4-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carbonitrile
CID 62879600
N-[[4-(trifluoromethyl)phenyl]methyl]thian-4-amine
CID 60699978
N-[(3-ethoxyphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364330
1-prop-2-ynyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 62881993

Frequently Asked Questions

What is the IUPAC name of N-[[4-(trifluoromethyl)phenyl]methyl]-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of N-[[4-(trifluoromethyl)phenyl]methyl]-1-azabicyclo[3.2.1]octan-4-amine (CID 105364574) is N-[[4-(trifluoromethyl)phenyl]methyl]-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for N-[[4-(trifluoromethyl)phenyl]methyl]-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for N-[[4-(trifluoromethyl)phenyl]methyl]-1-azabicyclo[3.2.1]octan-4-amine is FC(F)(F)c1ccc(CNC2CCN3CCC2C3)cc1.
What is the InChIKey of N-[[4-(trifluoromethyl)phenyl]methyl]-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is SQRHAMUEPDJTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2/c16-15(17,18)13-3-1-11(2-4-13)9-19-14-6-8-20-7-5-12(14)10-20/h1-4,12,14,19H,5-10H2.
What are the key properties of N-[[4-(trifluoromethyl)phenyl]methyl]-1-azabicyclo[3.2.1]octan-4-amine?
N-[[4-(trifluoromethyl)phenyl]methyl]-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 284.32 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(trifluoromethyl)phenyl]methyl]-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105364574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).