6-methyl-1-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-amine

C12H17F3N2O — CID 67527428

IUPAC6-methyl-1-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
SMILESCC1C=CC=C(C(F)(F)F)C1(N)N1CCOCC1
InChIInChI=1S/C12H17F3N2O/c1-9-3-2-4-10(12(13,14)15)11(9,16)17-5-7-18-8-6-17/h2-4,9H,5-8,16H2,1H3
InChIKeyBBPOUIUZZMZKMZ-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.67
Rot. Bonds1

About 6-methyl-1-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-amine

6-methyl-1-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-amine (PubChem CID 67527428) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 6-methyl-1-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-methyl-1-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
PubChem CID67527428
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name6-methyl-1-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
SMILESCC1C=CC=C(C(F)(F)F)C1(N)N1CCOCC1
InChIInChI=1S/C12H17F3N2O/c1-9-3-2-4-10(12(13,14)15)11(9,16)17-5-7-18-8-6-17/h2-4,9H,5-8,16H2,1H3
InChIKeyBBPOUIUZZMZKMZ-UHFFFAOYSA-N
XLogP1.67
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-methyl-1-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-amine (CID 67527428) is 6-methyl-1-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-methyl-1-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-methyl-1-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-amine is CC1C=CC=C(C(F)(F)F)C1(N)N1CCOCC1.
What is the InChIKey of 6-methyl-1-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
The InChIKey is BBPOUIUZZMZKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-9-3-2-4-10(12(13,14)15)11(9,16)17-5-7-18-8-6-17/h2-4,9H,5-8,16H2,1H3.
What are the key properties of 6-methyl-1-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
6-methyl-1-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-amine has a molecular weight of 262.27 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 67527428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).