(5-methyloxolan-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine

C14H18F3NO — CID 102758237

IUPAC(5-methyloxolan-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
SMILESCc1cc(C(F)(F)F)ccc1C(N)C1COC(C)C1
InChIInChI=1S/C14H18F3NO/c1-8-5-11(14(15,16)17)3-4-12(8)13(18)10-6-9(2)19-7-10/h3-5,9-10,13H,6-7,18H2,1-2H3
InChIKeyJGSOJRMYCNTFHU-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.44
Rot. Bonds2

About (5-methyloxolan-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine

(5-methyloxolan-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine (PubChem CID 102758237) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is (5-methyloxolan-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(5-methyloxolan-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
PubChem CID102758237
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name(5-methyloxolan-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
SMILESCc1cc(C(F)(F)F)ccc1C(N)C1COC(C)C1
InChIInChI=1S/C14H18F3NO/c1-8-5-11(14(15,16)17)3-4-12(8)13(18)10-6-9(2)19-7-10/h3-5,9-10,13H,6-7,18H2,1-2H3
InChIKeyJGSOJRMYCNTFHU-UHFFFAOYSA-N
XLogP3.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclooctyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102754830
cyclohexyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753522
[4-fluoro-3-(trifluoromethyl)phenyl]-(5-methyloxolan-3-yl)methanamine
CID 107291977
(1R)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 129373327
(5-methyloxolan-3-yl)-(4-methylphenyl)methanamine
CID 114824909
(3-chloro-4-methylphenyl)-(5-methyloxolan-3-yl)methanamine
CID 107562110
2,2-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 103517278
(2-fluoro-3-methoxyphenyl)-(5-methyloxolan-3-yl)methanamine
CID 105025195
1-(2,4-dimethylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine
CID 114824998
(S)-[2,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanamine;hydrochloride
CID 171228434
(3,5-dimethylcyclohex-3-en-1-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 103277723
(R)-cyclopentyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 171209544

Frequently Asked Questions

What is the IUPAC name of (5-methyloxolan-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (5-methyloxolan-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine (CID 102758237) is (5-methyloxolan-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (5-methyloxolan-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (5-methyloxolan-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine is Cc1cc(C(F)(F)F)ccc1C(N)C1COC(C)C1.
What is the InChIKey of (5-methyloxolan-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is JGSOJRMYCNTFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-8-5-11(14(15,16)17)3-4-12(8)13(18)10-6-9(2)19-7-10/h3-5,9-10,13H,6-7,18H2,1-2H3.
What are the key properties of (5-methyloxolan-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
(5-methyloxolan-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 273.30 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyloxolan-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 102758237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).