4-methoxy-5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine

C9H12F3NO — CID 162549179

IUPAC4-methoxy-5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
SMILESCOC1=C(C(F)(F)F)C=C(N)CC1C
InChIInChI=1S/C9H12F3NO/c1-5-3-6(13)4-7(8(5)14-2)9(10,11)12/h4-5H,3,13H2,1-2H3
InChIKeyZORBRIKRCJSAEH-UHFFFAOYSA-N
MW207.19 g/mol
LogP2.33
Rot. Bonds1

About 4-methoxy-5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine

4-methoxy-5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine (PubChem CID 162549179) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is 4-methoxy-5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name4-methoxy-5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
PubChem CID162549179
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Name4-methoxy-5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
SMILESCOC1=C(C(F)(F)F)C=C(N)CC1C
InChIInChI=1S/C9H12F3NO/c1-5-3-6(13)4-7(8(5)14-2)9(10,11)12/h4-5H,3,13H2,1-2H3
InChIKeyZORBRIKRCJSAEH-UHFFFAOYSA-N
XLogP2.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methoxy-3-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
CID 89035045
4-(Trifluoromethoxy)cyclohexa-1,3-dien-1-amine
CID 89073763
5-Fluoro-4-methoxycyclohexa-1,3-dien-1-amine
CID 89154149
3-[Difluoro(phosphanyl)methyl]-5-methoxycyclohexa-1,5-dien-1-amine
CID 141914612
3-Fluoro-4-methoxycyclohexa-1,3-dien-1-amine
CID 143206355
4-(Difluoromethoxy)cyclohexa-1,3-dien-1-amine
CID 153629789
5-Methoxy-4-methylcyclohexa-1,5-dien-1-amine
CID 70314240
4-(2-Methylbutoxy)cyclohexa-1,3-dien-1-amine
CID 89039062
6-Ethyl-4-methoxycyclohexa-1,3-dien-1-amine
CID 142115192
3-Ethyl-4-methoxycyclohexa-1,3-dien-1-amine
CID 144093849
CID 178791580
CID 178791580

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The IUPAC name of 4-methoxy-5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine (CID 162549179) is 4-methoxy-5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 4-methoxy-5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for 4-methoxy-5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine is COC1=C(C(F)(F)F)C=C(N)CC1C.
What is the InChIKey of 4-methoxy-5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The InChIKey is ZORBRIKRCJSAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO/c1-5-3-6(13)4-7(8(5)14-2)9(10,11)12/h4-5H,3,13H2,1-2H3.
What are the key properties of 4-methoxy-5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
4-methoxy-5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine has a molecular weight of 207.19 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 162549179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).