1-fluoro-6-methoxy-3-methylcyclohexa-2,4-dien-1-amine

C8H12FNO — CID 139410833

IUPAC1-fluoro-6-methoxy-3-methylcyclohexa-2,4-dien-1-amine
SMILESCOC1C=CC(C)=CC1(N)F
InChIInChI=1S/C8H12FNO/c1-6-3-4-7(11-2)8(9,10)5-6/h3-5,7H,10H2,1-2H3
InChIKeyYVXHRYNGOPWSHS-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.14
Rot. Bonds1

About 1-fluoro-6-methoxy-3-methylcyclohexa-2,4-dien-1-amine

1-fluoro-6-methoxy-3-methylcyclohexa-2,4-dien-1-amine (PubChem CID 139410833) has the molecular formula C8H12FNO and a molecular weight of 157.19 g/mol. Its IUPAC name is 1-fluoro-6-methoxy-3-methylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name1-fluoro-6-methoxy-3-methylcyclohexa-2,4-dien-1-amine
PubChem CID139410833
Molecular FormulaC8H12FNO
Molecular Weight157.19 g/mol
Exact Mass157.09
IUPAC Name1-fluoro-6-methoxy-3-methylcyclohexa-2,4-dien-1-amine
SMILESCOC1C=CC(C)=CC1(N)F
InChIInChI=1S/C8H12FNO/c1-6-3-4-7(11-2)8(9,10)5-6/h3-5,7H,10H2,1-2H3
InChIKeyYVXHRYNGOPWSHS-UHFFFAOYSA-N
XLogP1.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-Aminoveratrole
CID 141015537
1-(Difluoromethoxy)-2-methylcyclohexa-2,4-dien-1-amine
CID 86660262
1-[(4R)-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]ethanamine
CID 124095634
3-(2-Fluoroethylidene)-4-methoxycyclohexa-1,5-dien-1-amine
CID 141316299
6-(2,2,2-Trifluoroethoxy)-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 150124657
6-Methoxy-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 154356628
1,3-Difluoro-6-prop-2-enoxycyclohexa-2,4-dien-1-amine
CID 163387766
4-Fluoro-6-propan-2-yloxycyclohexa-2,4-dien-1-amine
CID 145312380
(1S)-6-(difluoromethoxy)-1-ethylcyclohexa-2,4-dien-1-amine
CID 175077831
6-Methoxy-1-methylcyclohexa-2,4-dien-1-amine
CID 69324295
1-Ethyl-6-methoxycyclohexa-2,4-dien-1-amine
CID 69324875
1-Methoxy-4-methylcyclohexa-2,4-dien-1-amine
CID 70545453

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-6-methoxy-3-methylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 1-fluoro-6-methoxy-3-methylcyclohexa-2,4-dien-1-amine (CID 139410833) is 1-fluoro-6-methoxy-3-methylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 1-fluoro-6-methoxy-3-methylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 1-fluoro-6-methoxy-3-methylcyclohexa-2,4-dien-1-amine is COC1C=CC(C)=CC1(N)F.
What is the InChIKey of 1-fluoro-6-methoxy-3-methylcyclohexa-2,4-dien-1-amine?
The InChIKey is YVXHRYNGOPWSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO/c1-6-3-4-7(11-2)8(9,10)5-6/h3-5,7H,10H2,1-2H3.
What are the key properties of 1-fluoro-6-methoxy-3-methylcyclohexa-2,4-dien-1-amine?
1-fluoro-6-methoxy-3-methylcyclohexa-2,4-dien-1-amine has a molecular weight of 157.19 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-6-methoxy-3-methylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 139410833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).