1-methyl-4-[5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxycyclohexa-2,4-dien-1-amine

C15H18F3NO — CID 142074965

IUPAC1-methyl-4-[5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxycyclohexa-2,4-dien-1-amine
SMILESCC1C=C(C(F)(F)F)C=C(OC2=CCC(C)(N)C=C2)C1
InChIInChI=1S/C15H18F3NO/c1-10-7-11(15(16,17)18)9-13(8-10)20-12-3-5-14(2,19)6-4-12/h3-5,7,9-10H,6,8,19H2,1-2H3
InChIKeyWAWJWGCAJQNTDZ-UHFFFAOYSA-N
MW285.31 g/mol
LogP3.98
Rot. Bonds2

About 1-methyl-4-[5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxycyclohexa-2,4-dien-1-amine

1-methyl-4-[5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxycyclohexa-2,4-dien-1-amine (PubChem CID 142074965) has the molecular formula C15H18F3NO and a molecular weight of 285.31 g/mol. Its IUPAC name is 1-methyl-4-[5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxycyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name1-methyl-4-[5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxycyclohexa-2,4-dien-1-amine
PubChem CID142074965
Molecular FormulaC15H18F3NO
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name1-methyl-4-[5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxycyclohexa-2,4-dien-1-amine
SMILESCC1C=C(C(F)(F)F)C=C(OC2=CCC(C)(N)C=C2)C1
InChIInChI=1S/C15H18F3NO/c1-10-7-11(15(16,17)18)9-13(8-10)20-12-3-5-14(2,19)6-4-12/h3-5,7,9-10H,6,8,19H2,1-2H3
InChIKeyWAWJWGCAJQNTDZ-UHFFFAOYSA-N
XLogP3.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxycyclohexa-2,4-dien-1-amine?
The IUPAC name of 1-methyl-4-[5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxycyclohexa-2,4-dien-1-amine (CID 142074965) is 1-methyl-4-[5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxycyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 1-methyl-4-[5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxycyclohexa-2,4-dien-1-amine?
The canonical SMILES for 1-methyl-4-[5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxycyclohexa-2,4-dien-1-amine is CC1C=C(C(F)(F)F)C=C(OC2=CCC(C)(N)C=C2)C1.
What is the InChIKey of 1-methyl-4-[5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxycyclohexa-2,4-dien-1-amine?
The InChIKey is WAWJWGCAJQNTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO/c1-10-7-11(15(16,17)18)9-13(8-10)20-12-3-5-14(2,19)6-4-12/h3-5,7,9-10H,6,8,19H2,1-2H3.
What are the key properties of 1-methyl-4-[5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxycyclohexa-2,4-dien-1-amine?
1-methyl-4-[5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxycyclohexa-2,4-dien-1-amine has a molecular weight of 285.31 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxycyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 142074965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).