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

C9H15NO — CID 173435112

IUPAC6-methoxy-1,3-dimethylcyclohexa-2,4-dien-1-amine
SMILESCOC1C=CC(C)=CC1(C)N
InChIInChI=1S/C9H15NO/c1-7-4-5-8(11-3)9(2,10)6-7/h4-6,8H,10H2,1-3H3
InChIKeyDNRTYZMNZOBSNB-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.23
Rot. Bonds1

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

6-methoxy-1,3-dimethylcyclohexa-2,4-dien-1-amine (PubChem CID 173435112) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 6-methoxy-1,3-dimethylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-methoxy-1,3-dimethylcyclohexa-2,4-dien-1-amine
PubChem CID173435112
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name6-methoxy-1,3-dimethylcyclohexa-2,4-dien-1-amine
SMILESCOC1C=CC(C)=CC1(C)N
InChIInChI=1S/C9H15NO/c1-7-4-5-8(11-3)9(2,10)6-7/h4-6,8H,10H2,1-3H3
InChIKeyDNRTYZMNZOBSNB-UHFFFAOYSA-N
XLogP1.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1,3-dimethylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-methoxy-1,3-dimethylcyclohexa-2,4-dien-1-amine (CID 173435112) is 6-methoxy-1,3-dimethylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-methoxy-1,3-dimethylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-methoxy-1,3-dimethylcyclohexa-2,4-dien-1-amine is COC1C=CC(C)=CC1(C)N.
What is the InChIKey of 6-methoxy-1,3-dimethylcyclohexa-2,4-dien-1-amine?
The InChIKey is DNRTYZMNZOBSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7-4-5-8(11-3)9(2,10)6-7/h4-6,8H,10H2,1-3H3.
What are the key properties of 6-methoxy-1,3-dimethylcyclohexa-2,4-dien-1-amine?
6-methoxy-1,3-dimethylcyclohexa-2,4-dien-1-amine has a molecular weight of 153.22 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,3-dimethylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 173435112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).