1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine

C9H14FN — CID 178087421

IUPAC1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine
SMILESCNC(C)C1=CCC(F)C=C1
InChIInChI=1S/C9H14FN/c1-7(11-2)8-3-5-9(10)6-4-8/h3-5,7,9,11H,6H2,1-2H3
InChIKeyDGJVGWGBLDXCLD-UHFFFAOYSA-N
MW155.22 g/mol
LogP1.82
Rot. Bonds2

About 1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine

1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine (PubChem CID 178087421) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is 1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine
PubChem CID178087421
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine
SMILESCNC(C)C1=CCC(F)C=C1
InChIInChI=1S/C9H14FN/c1-7(11-2)8-3-5-9(10)6-4-8/h3-5,7,9,11H,6H2,1-2H3
InChIKeyDGJVGWGBLDXCLD-UHFFFAOYSA-N
XLogP1.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Pyridine, 3-ethyl-1,2,5,6-tetrahydro-6-methyl-
CID 23423764
1-Cyclohexa-1,5-dien-1-ylethanamine
CID 91106318
2-fluoro-2,3-dimethyl-1H-pyridine
CID 22615259
3-Fluoro-4-methylcyclohexa-2,4-dien-1-amine
CID 67710936
4-Ethyl-6-fluoro-3-methylcyclohexa-2,4-dien-1-amine
CID 68084234
4-fluoro-N,2-dimethylcyclohexa-2,4-dien-1-amine
CID 68241956
1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylmethanamine
CID 70372203
(2E,3E)-2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 88224148
2-(2-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine
CID 89035224
1-(4-fluorocyclohexa-1,3-dien-1-yl)-N-methylmethanamine
CID 89097623
(3Z)-N-(2-fluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
CID 89153630
5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine
CID 89167830

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine?
The IUPAC name of 1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine (CID 178087421) is 1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine.
What is the SMILES notation for 1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine?
The canonical SMILES for 1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine is CNC(C)C1=CCC(F)C=C1.
What is the InChIKey of 1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine?
The InChIKey is DGJVGWGBLDXCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN/c1-7(11-2)8-3-5-9(10)6-4-8/h3-5,7,9,11H,6H2,1-2H3.
What are the key properties of 1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine?
1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine has a molecular weight of 155.22 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine is sourced from PubChem (CID 178087421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).