1-(oxolan-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine

C13H16F3NO — CID 60921002

IUPAC1-(oxolan-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
SMILESFC(F)(F)c1ccccc1CNCC1CCOC1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)12-4-2-1-3-11(12)8-17-7-10-5-6-18-9-10/h1-4,10,17H,5-9H2
InChIKeyGKTMSFLYNVRJJK-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.83
Rot. Bonds4

About 1-(oxolan-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine

1-(oxolan-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine (PubChem CID 60921002) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-(oxolan-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
PubChem CID60921002
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name1-(oxolan-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
SMILESFC(F)(F)c1ccccc1CNCC1CCOC1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)12-4-2-1-3-11(12)8-17-7-10-5-6-18-9-10/h1-4,10,17H,5-9H2
InChIKeyGKTMSFLYNVRJJK-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)aniline
CID 43191959
4-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
CID 106124800
2-fluoro-6-[(oxolan-3-ylmethylamino)methyl]phenol
CID 112606580
N-[(2,3-dichlorophenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 60920110
2-chloro-6-[(oxolan-3-ylmethylamino)methyl]phenol
CID 112554095
1-(thiiran-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 162544005
N-(oxan-4-ylmethyl)-2-(trifluoromethyl)aniline
CID 55209485
N-[(2,4-difluorophenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 60920891
1-(oxolan-3-yl)-N-(quinolin-4-ylmethyl)methanamine
CID 63852262
N-[(3S,4R)-3-methoxyoxan-4-yl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 91777227
1-(2-methylcyclohexyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 63455912
N-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 54931890

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine?
The IUPAC name of 1-(oxolan-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine (CID 60921002) is 1-(oxolan-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine.
What is the SMILES notation for 1-(oxolan-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine?
The canonical SMILES for 1-(oxolan-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine is FC(F)(F)c1ccccc1CNCC1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine?
The InChIKey is GKTMSFLYNVRJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c14-13(15,16)12-4-2-1-3-11(12)8-17-7-10-5-6-18-9-10/h1-4,10,17H,5-9H2.
What are the key properties of 1-(oxolan-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine?
1-(oxolan-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine has a molecular weight of 259.27 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine is sourced from PubChem (CID 60921002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).