2-(2-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-N-methylethanamine

C10H16FNO — CID 123146933

IUPAC2-(2-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-N-methylethanamine
SMILESCNCCC1=C(F)C=C(OC)CC1
InChIInChI=1S/C10H16FNO/c1-12-6-5-8-3-4-9(13-2)7-10(8)11/h7,12H,3-6H2,1-2H3
InChIKeyFNSGZBNYWANZJZ-UHFFFAOYSA-N
MW185.24 g/mol
LogP2.14
Rot. Bonds4

About 2-(2-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-N-methylethanamine

2-(2-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-N-methylethanamine (PubChem CID 123146933) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is 2-(2-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-N-methylethanamine
PubChem CID123146933
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC Name2-(2-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-N-methylethanamine
SMILESCNCCC1=C(F)C=C(OC)CC1
InChIInChI=1S/C10H16FNO/c1-12-6-5-8-3-4-9(13-2)7-10(8)11/h7,12H,3-6H2,1-2H3
InChIKeyFNSGZBNYWANZJZ-UHFFFAOYSA-N
XLogP2.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-N-methylethanamine with MolForge

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Related Compounds

(E,4E)-3-ethyl-4-(1-fluoroprop-2-enylidene)-6-methoxy-N-methyloct-5-en-1-amine
CID 134301409
1,4-cyclohexadiene-1-ethanamine, 5-methoxy-N-methyl-
CID 637853
N-[2-(4-methoxycyclohexa-1,3-dien-1-yl)ethyl]propan-2-amine
CID 121257797
3-ethyl-6-methoxy-N-(5-methylhex-5-enyl)hepta-3,5-dien-1-amine
CID 123331927
1-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylmethanamine
CID 123390807
2-(4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)-N-methylethanamine
CID 142187162
4-(4-Methoxycyclohexa-1,3-dien-1-yl)butan-1-amine
CID 142229938
(3E)-3-[(E)-3-methoxybut-2-enylidene]-N-methylcyclohexan-1-amine
CID 142933385
4-[2-(Methylamino)ethyl]cyclohexa-1,3-dien-1-ol
CID 143147802
(3R)-3-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylbutan-1-amine;molecular hydrogen
CID 143300286
3-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylbutan-1-amine;molecular hydrogen
CID 143507278
3-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylbutan-1-amine
CID 143507279

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-N-methylethanamine?
The IUPAC name of 2-(2-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-N-methylethanamine (CID 123146933) is 2-(2-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-N-methylethanamine?
The canonical SMILES for 2-(2-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-N-methylethanamine is CNCCC1=C(F)C=C(OC)CC1.
What is the InChIKey of 2-(2-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-N-methylethanamine?
The InChIKey is FNSGZBNYWANZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO/c1-12-6-5-8-3-4-9(13-2)7-10(8)11/h7,12H,3-6H2,1-2H3.
What are the key properties of 2-(2-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-N-methylethanamine?
2-(2-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-N-methylethanamine has a molecular weight of 185.24 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-N-methylethanamine is sourced from PubChem (CID 123146933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).