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

C8H13NO — CID 123874139

IUPAC6-methoxy-3-methylcyclohexa-2,4-dien-1-amine
SMILESCOC1C=CC(C)=CC1N
InChIInChI=1S/C8H13NO/c1-6-3-4-8(10-2)7(9)5-6/h3-5,7-8H,9H2,1-2H3
InChIKeyGYCQCKSRXWAVKS-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.84
Rot. Bonds1

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

6-methoxy-3-methylcyclohexa-2,4-dien-1-amine (PubChem CID 123874139) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 6-methoxy-3-methylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-methoxy-3-methylcyclohexa-2,4-dien-1-amine
PubChem CID123874139
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name6-methoxy-3-methylcyclohexa-2,4-dien-1-amine
SMILESCOC1C=CC(C)=CC1N
InChIInChI=1S/C8H13NO/c1-6-3-4-8(10-2)7(9)5-6/h3-5,7-8H,9H2,1-2H3
InChIKeyGYCQCKSRXWAVKS-UHFFFAOYSA-N
XLogP0.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2,2,2-Trifluoroethoxy)cyclohexa-1,5-dien-1-yl]ethanamine
CID 68097267
6-Methoxy-6-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 69301389
6-Methyl-6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-amine
CID 70201761
1-[4-(1,1,2,2-Tetrafluoroethoxy)cyclohexa-1,5-dien-1-yl]ethanamine
CID 87688747
6-Fluoro-6-methoxycyclohexa-2,4-dien-1-amine
CID 118514849
6-(Trifluoromethoxy)cyclohexa-2,4-dien-1-amine
CID 123991293
1-[(4R)-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]ethanamine
CID 124095634
(Z,4E)-4-ethylidene-1-fluoro-3-methoxynon-5-en-2-amine
CID 129313612
(Z,5E)-5-ethylidene-8-fluoro-6-methoxyoct-3-ene-1,7-diamine
CID 129313631
1-Fluoro-6-methoxy-3-methylcyclohexa-2,4-dien-1-amine
CID 139410833
1-(4,4-Dimethylcyclohexa-1,5-dien-1-yl)-3-fluoro-1-methoxypropan-2-amine
CID 145467293
4-Fluoro-6-pentan-2-yloxycyclohexa-2,4-dien-1-amine
CID 148191835

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-methylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-methoxy-3-methylcyclohexa-2,4-dien-1-amine (CID 123874139) is 6-methoxy-3-methylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-methoxy-3-methylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-methoxy-3-methylcyclohexa-2,4-dien-1-amine is COC1C=CC(C)=CC1N.
What is the InChIKey of 6-methoxy-3-methylcyclohexa-2,4-dien-1-amine?
The InChIKey is GYCQCKSRXWAVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6-3-4-8(10-2)7(9)5-6/h3-5,7-8H,9H2,1-2H3.
What are the key properties of 6-methoxy-3-methylcyclohexa-2,4-dien-1-amine?
6-methoxy-3-methylcyclohexa-2,4-dien-1-amine has a molecular weight of 139.20 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-methylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 123874139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).