N-[[2-(trifluoromethyl)phenyl]methyl]-5-oxaspiro[3.5]nonan-8-amine

C16H20F3NO — CID 79899877

IUPACN-[[2-(trifluoromethyl)phenyl]methyl]-5-oxaspiro[3.5]nonan-8-amine
SMILESFC(F)(F)c1ccccc1CNC1CCOC2(CCC2)C1
InChIInChI=1S/C16H20F3NO/c17-16(18,19)14-5-2-1-4-12(14)11-20-13-6-9-21-15(10-13)7-3-8-15/h1-2,4-5,13,20H,3,6-11H2
InChIKeyQFSDAVXMBLHACY-UHFFFAOYSA-N
MW299.34 g/mol
LogP3.90
Rot. Bonds3

About N-[[2-(trifluoromethyl)phenyl]methyl]-5-oxaspiro[3.5]nonan-8-amine

N-[[2-(trifluoromethyl)phenyl]methyl]-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 79899877) has the molecular formula C16H20F3NO and a molecular weight of 299.34 g/mol. Its IUPAC name is N-[[2-(trifluoromethyl)phenyl]methyl]-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-[[2-(trifluoromethyl)phenyl]methyl]-5-oxaspiro[3.5]nonan-8-amine
PubChem CID79899877
Molecular FormulaC16H20F3NO
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC NameN-[[2-(trifluoromethyl)phenyl]methyl]-5-oxaspiro[3.5]nonan-8-amine
SMILESFC(F)(F)c1ccccc1CNC1CCOC2(CCC2)C1
InChIInChI=1S/C16H20F3NO/c17-16(18,19)14-5-2-1-4-12(14)11-20-13-6-9-21-15(10-13)7-3-8-15/h1-2,4-5,13,20H,3,6-11H2
InChIKeyQFSDAVXMBLHACY-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79897702
N-[(2-ethylphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79903292
N-[(2,4-difluorophenyl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 79895902
N-[(2-fluorophenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 71683332
N-[2-(2-methylphenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79903710
4-[(5-oxaspiro[3.4]octan-7-ylamino)methyl]-3-(trifluoromethyl)benzoic acid
CID 167749492
N-[[2-(trifluoromethyl)phenyl]methyl]thian-4-amine
CID 62048945
N-[(3-methyl-2-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79904113
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79901887
N-(1-oxaspiro[5.5]undecan-4-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 133377933
N-[(4-methoxyphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79898310
[4-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol
CID 107230893

Frequently Asked Questions

What is the IUPAC name of N-[[2-(trifluoromethyl)phenyl]methyl]-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of N-[[2-(trifluoromethyl)phenyl]methyl]-5-oxaspiro[3.5]nonan-8-amine (CID 79899877) is N-[[2-(trifluoromethyl)phenyl]methyl]-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-[[2-(trifluoromethyl)phenyl]methyl]-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-[[2-(trifluoromethyl)phenyl]methyl]-5-oxaspiro[3.5]nonan-8-amine is FC(F)(F)c1ccccc1CNC1CCOC2(CCC2)C1.
What is the InChIKey of N-[[2-(trifluoromethyl)phenyl]methyl]-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is QFSDAVXMBLHACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO/c17-16(18,19)14-5-2-1-4-12(14)11-20-13-6-9-21-15(10-13)7-3-8-15/h1-2,4-5,13,20H,3,6-11H2.
What are the key properties of N-[[2-(trifluoromethyl)phenyl]methyl]-5-oxaspiro[3.5]nonan-8-amine?
N-[[2-(trifluoromethyl)phenyl]methyl]-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 299.34 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(trifluoromethyl)phenyl]methyl]-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 79899877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).