N-[(4-methyloxan-4-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine

C15H20F3NO — CID 103743564

IUPACN-[(4-methyloxan-4-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESCC1(CNCc2ccccc2C(F)(F)F)CCOCC1
InChIInChI=1S/C15H20F3NO/c1-14(6-8-20-9-7-14)11-19-10-12-4-2-3-5-13(12)15(16,17)18/h2-5,19H,6-11H2,1H3
InChIKeyLGSBEBBRYNUYHD-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.61
Rot. Bonds4

About N-[(4-methyloxan-4-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine

N-[(4-methyloxan-4-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 103743564) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[(4-methyloxan-4-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(4-methyloxan-4-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
PubChem CID103743564
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC NameN-[(4-methyloxan-4-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESCC1(CNCc2ccccc2C(F)(F)F)CCOCC1
InChIInChI=1S/C15H20F3NO/c1-14(6-8-20-9-7-14)11-19-10-12-4-2-3-5-13(12)15(16,17)18/h2-5,19H,6-11H2,1H3
InChIKeyLGSBEBBRYNUYHD-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-piperidin-1-yloxan-4-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 119129214
1-[2-(trifluoromethyl)phenyl]-N-[[4-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]-1-bicyclo[2.2.2]octanyl]methyl]methanamine;dihydrochloride
CID 138398761
1-(2,3-difluorophenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 103743661
1-[2-(difluoromethoxy)phenyl]-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 103743674
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 103802421
1-(2-fluoro-5-methylphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 113253102
3-fluoro-4-[[(4-methyloxan-4-yl)methylamino]methyl]aniline
CID 114125922
N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 14509279
1-(2-fluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 63822886
1-(2-bromo-4-methylphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 103845158
1-(oxolan-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 60921002
2-[[(1-methylcyclobutyl)methylamino]methyl]phenol;hydrochloride
CID 115680456

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyloxan-4-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-[(4-methyloxan-4-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine (CID 103743564) is N-[(4-methyloxan-4-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-[(4-methyloxan-4-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-[(4-methyloxan-4-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine is CC1(CNCc2ccccc2C(F)(F)F)CCOCC1.
What is the InChIKey of N-[(4-methyloxan-4-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is LGSBEBBRYNUYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-14(6-8-20-9-7-14)11-19-10-12-4-2-3-5-13(12)15(16,17)18/h2-5,19H,6-11H2,1H3.
What are the key properties of N-[(4-methyloxan-4-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine?
N-[(4-methyloxan-4-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 287.32 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyloxan-4-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 103743564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).