1-[6-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)oxycyclohexa-1,3-dien-1-yl]-N-methylmethanamine

C15H20FNO — CID 138502674

IUPAC1-[6-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)oxycyclohexa-1,3-dien-1-yl]-N-methylmethanamine
SMILESCNCC1=CC=CCC1OC1=CCC(C)(F)C=C1
InChIInChI=1S/C15H20FNO/c1-15(16)9-7-13(8-10-15)18-14-6-4-3-5-12(14)11-17-2/h3-5,7-9,14,17H,6,10-11H2,1-2H3
InChIKeyFSXVKMDXTPNTSK-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.05
Rot. Bonds4

About 1-[6-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)oxycyclohexa-1,3-dien-1-yl]-N-methylmethanamine

1-[6-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)oxycyclohexa-1,3-dien-1-yl]-N-methylmethanamine (PubChem CID 138502674) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 1-[6-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)oxycyclohexa-1,3-dien-1-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)oxycyclohexa-1,3-dien-1-yl]-N-methylmethanamine
PubChem CID138502674
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name1-[6-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)oxycyclohexa-1,3-dien-1-yl]-N-methylmethanamine
SMILESCNCC1=CC=CCC1OC1=CCC(C)(F)C=C1
InChIInChI=1S/C15H20FNO/c1-15(16)9-7-13(8-10-15)18-14-6-4-3-5-12(14)11-17-2/h3-5,7-9,14,17H,6,10-11H2,1-2H3
InChIKeyFSXVKMDXTPNTSK-UHFFFAOYSA-N
XLogP3.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[6-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)oxycyclohexa-1,3-dien-1-yl]-N-methylmethanamine with MolForge

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Related Compounds

1-(2-ethoxy-5-fluorocyclohexa-1,3-dien-1-yl)-N-methylmethanamine
CID 89276342
4-[2-(Trifluoromethyl)cyclohexa-1,5-dien-1-yl]oxypiperidine
CID 142028547
3-cyclohexa-1,5-dien-1-yl-3-methoxy-N-methylpropan-1-amine
CID 68082938
N-methyl-3-[(3E)-6-methylhepta-1,3-dien-3-yl]oxypentan-1-amine
CID 88583271
N-methyl-3-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxypentan-1-amine
CID 134242988
4-[(2E,4Z)-7-methyl-6-methylideneocta-2,4-dien-3-yl]oxypiperidine
CID 143457436
(4E,6Z)-4-ethenyl-N-methyl-3-(2-methylcyclohepta-1,3,5-trien-1-yl)oxyocta-4,6-dien-1-amine
CID 143896624
1-(6-butan-2-yloxycyclohexa-1,3-dien-1-yl)-N-methylmethanamine
CID 144515588
1-[(6S)-3-butan-2-yl-6-propan-2-yloxycyclohexa-1,3-dien-1-yl]-N-methylmethanamine
CID 144515592
7-propan-2-yloxy-2,3,4,5-tetrahydro-1H-isoindole
CID 176925071
N-[(6-methoxy-3-methylcyclohexa-2,4-dien-1-yl)methyl]pentan-1-amine
CID 142978590

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)oxycyclohexa-1,3-dien-1-yl]-N-methylmethanamine?
The IUPAC name of 1-[6-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)oxycyclohexa-1,3-dien-1-yl]-N-methylmethanamine (CID 138502674) is 1-[6-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)oxycyclohexa-1,3-dien-1-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)oxycyclohexa-1,3-dien-1-yl]-N-methylmethanamine?
The canonical SMILES for 1-[6-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)oxycyclohexa-1,3-dien-1-yl]-N-methylmethanamine is CNCC1=CC=CCC1OC1=CCC(C)(F)C=C1.
What is the InChIKey of 1-[6-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)oxycyclohexa-1,3-dien-1-yl]-N-methylmethanamine?
The InChIKey is FSXVKMDXTPNTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-15(16)9-7-13(8-10-15)18-14-6-4-3-5-12(14)11-17-2/h3-5,7-9,14,17H,6,10-11H2,1-2H3.
What are the key properties of 1-[6-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)oxycyclohexa-1,3-dien-1-yl]-N-methylmethanamine?
1-[6-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)oxycyclohexa-1,3-dien-1-yl]-N-methylmethanamine has a molecular weight of 249.33 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)oxycyclohexa-1,3-dien-1-yl]-N-methylmethanamine is sourced from PubChem (CID 138502674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).