N-[[3-(trifluoromethyl)phenyl]methyl]oxolan-3-amine

C12H14F3NO — CID 63331563

IUPACN-[[3-(trifluoromethyl)phenyl]methyl]oxolan-3-amine
SMILESFC(F)(F)c1cccc(CNC2CCOC2)c1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)10-3-1-2-9(6-10)7-16-11-4-5-17-8-11/h1-3,6,11,16H,4-5,7-8H2
InChIKeyACITYEXKARDNOX-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.58
Rot. Bonds3

About N-[[3-(trifluoromethyl)phenyl]methyl]oxolan-3-amine

N-[[3-(trifluoromethyl)phenyl]methyl]oxolan-3-amine (PubChem CID 63331563) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is N-[[3-(trifluoromethyl)phenyl]methyl]oxolan-3-amine.

Molecular Properties

Compound NameN-[[3-(trifluoromethyl)phenyl]methyl]oxolan-3-amine
PubChem CID63331563
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC NameN-[[3-(trifluoromethyl)phenyl]methyl]oxolan-3-amine
SMILESFC(F)(F)c1cccc(CNC2CCOC2)c1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)10-3-1-2-9(6-10)7-16-11-4-5-17-8-11/h1-3,6,11,16H,4-5,7-8H2
InChIKeyACITYEXKARDNOX-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropanamine;hydrochloride
CID 166520360
1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 61462002
1-N,2-N-bis[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1,2-diamine;dihydrochloride
CID 51040821
3-[(oxolan-3-ylamino)methyl]benzamide
CID 63332008
N'-hydroxy-3-[(oxolan-3-ylamino)methyl]benzenecarboximidamide
CID 80713948
N-[[3-[cyclopropyl(difluoro)methyl]phenyl]methyl]cyclopropanamine
CID 116992767
2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 43080931
N-methyl-1-(oxolan-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 103987072
3-[(cyclopropylamino)methyl]-N-(oxolan-3-yl)benzenesulfonamide
CID 106072474
3-[(oxan-3-ylamino)methyl]benzoic acid
CID 103251620
N-(pyridin-4-ylmethyl)oxolan-3-amine
CID 63331890
4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]oxan-4-amine
CID 115758041

Frequently Asked Questions

What is the IUPAC name of N-[[3-(trifluoromethyl)phenyl]methyl]oxolan-3-amine?
The IUPAC name of N-[[3-(trifluoromethyl)phenyl]methyl]oxolan-3-amine (CID 63331563) is N-[[3-(trifluoromethyl)phenyl]methyl]oxolan-3-amine.
What is the SMILES notation for N-[[3-(trifluoromethyl)phenyl]methyl]oxolan-3-amine?
The canonical SMILES for N-[[3-(trifluoromethyl)phenyl]methyl]oxolan-3-amine is FC(F)(F)c1cccc(CNC2CCOC2)c1.
What is the InChIKey of N-[[3-(trifluoromethyl)phenyl]methyl]oxolan-3-amine?
The InChIKey is ACITYEXKARDNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c13-12(14,15)10-3-1-2-9(6-10)7-16-11-4-5-17-8-11/h1-3,6,11,16H,4-5,7-8H2.
What are the key properties of N-[[3-(trifluoromethyl)phenyl]methyl]oxolan-3-amine?
N-[[3-(trifluoromethyl)phenyl]methyl]oxolan-3-amine has a molecular weight of 245.24 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(trifluoromethyl)phenyl]methyl]oxolan-3-amine is sourced from PubChem (CID 63331563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).