1-[5-ethenyl-4-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine

C17H22FNO — CID 171496629

IUPAC1-[5-ethenyl-4-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
SMILESC=CC1=C(C(=C)C2=CC=C(F)CC2)CCOC1CNC
InChIInChI=1S/C17H22FNO/c1-4-15-16(9-10-20-17(15)11-19-3)12(2)13-5-7-14(18)8-6-13/h4-5,7,17,19H,1-2,6,8-11H2,3H3
InChIKeyMINMEYVJPPGXTO-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.61
Rot. Bonds5

About 1-[5-ethenyl-4-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine

1-[5-ethenyl-4-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine (PubChem CID 171496629) has the molecular formula C17H22FNO and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-[5-ethenyl-4-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-ethenyl-4-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
PubChem CID171496629
Molecular FormulaC17H22FNO
Molecular Weight275.37 g/mol
Exact Mass275.17
IUPAC Name1-[5-ethenyl-4-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
SMILESC=CC1=C(C(=C)C2=CC=C(F)CC2)CCOC1CNC
InChIInChI=1S/C17H22FNO/c1-4-15-16(9-10-20-17(15)11-19-3)12(2)13-5-7-14(18)8-6-13/h4-5,7,17,19H,1-2,6,8-11H2,3H3
InChIKeyMINMEYVJPPGXTO-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-ethenyl-4-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
CID 142279546
1-[5-ethenyl-4-[(3E,5E)-3-ethyl-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-2-yl]-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
CID 171496590
ethane;1-[5-ethenyl-4-[(3E,5E)-7,7,7-trifluoro-3,6-dimethylhepta-1,3,5-trien-2-yl]-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
CID 171496797
1-[(3S,6S)-4,5-bis(ethenyl)-3-fluoro-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
CID 142279477
1-[(3Z)-2-ethylidene-5-fluoro-1-methoxyhexa-3,5-dienyl]-N-propylcyclohexan-1-amine
CID 143236250
1-[5-ethenyl-4-[(3E,5E)-7,7,7-trifluoro-3,6-dimethylhepta-1,3,5-trien-2-yl]-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
CID 171496798
N-propyl-2-(1,2,5,6-tetrahydronaphthalen-2-yloxy)hexan-1-amine
CID 70997088
2-[(Z,2E)-2-ethylidene-1-(2-methylpropoxy)pent-3-enyl]piperidine
CID 126664178
2-[(Z,2E)-2-ethylidene-1-propan-2-yloxypent-3-enyl]piperidine
CID 129055713
1-[(2R,7S)-7-[(2E,4Z)-hepta-2,4-dien-3-yl]oxepan-2-yl]-N-methylmethanamine
CID 134408117
CID 141822648
CID 141822648
2-[cyclohexen-1-yl(cyclohex-2-en-1-yl)methoxy]-N-methylethanamine
CID 141945758

Frequently Asked Questions

What is the IUPAC name of 1-[5-ethenyl-4-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-ethenyl-4-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine (CID 171496629) is 1-[5-ethenyl-4-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-ethenyl-4-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-ethenyl-4-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine is C=CC1=C(C(=C)C2=CC=C(F)CC2)CCOC1CNC.
What is the InChIKey of 1-[5-ethenyl-4-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine?
The InChIKey is MINMEYVJPPGXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO/c1-4-15-16(9-10-20-17(15)11-19-3)12(2)13-5-7-14(18)8-6-13/h4-5,7,17,19H,1-2,6,8-11H2,3H3.
What are the key properties of 1-[5-ethenyl-4-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine?
1-[5-ethenyl-4-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine has a molecular weight of 275.37 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-ethenyl-4-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine is sourced from PubChem (CID 171496629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).