1-(3,6-dimethoxy-6-methylcyclohexa-2,4-dien-1-yl)propan-2-amine

C12H21NO2 — CID 69379349

IUPAC1-(3,6-dimethoxy-6-methylcyclohexa-2,4-dien-1-yl)propan-2-amine
SMILESCOC1=CC(CC(C)N)C(C)(OC)C=C1
InChIInChI=1S/C12H21NO2/c1-9(13)7-10-8-11(14-3)5-6-12(10,2)15-4/h5-6,8-10H,7,13H2,1-4H3
InChIKeyRHGPXYKAPWDDDO-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.85
Rot. Bonds4

About 1-(3,6-dimethoxy-6-methylcyclohexa-2,4-dien-1-yl)propan-2-amine

1-(3,6-dimethoxy-6-methylcyclohexa-2,4-dien-1-yl)propan-2-amine (PubChem CID 69379349) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-(3,6-dimethoxy-6-methylcyclohexa-2,4-dien-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3,6-dimethoxy-6-methylcyclohexa-2,4-dien-1-yl)propan-2-amine
PubChem CID69379349
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-(3,6-dimethoxy-6-methylcyclohexa-2,4-dien-1-yl)propan-2-amine
SMILESCOC1=CC(CC(C)N)C(C)(OC)C=C1
InChIInChI=1S/C12H21NO2/c1-9(13)7-10-8-11(14-3)5-6-12(10,2)15-4/h5-6,8-10H,7,13H2,1-4H3
InChIKeyRHGPXYKAPWDDDO-UHFFFAOYSA-N
XLogP1.85
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethoxy-6-methylcyclohexa-2,4-dien-1-yl)propan-2-amine?
The IUPAC name of 1-(3,6-dimethoxy-6-methylcyclohexa-2,4-dien-1-yl)propan-2-amine (CID 69379349) is 1-(3,6-dimethoxy-6-methylcyclohexa-2,4-dien-1-yl)propan-2-amine.
What is the SMILES notation for 1-(3,6-dimethoxy-6-methylcyclohexa-2,4-dien-1-yl)propan-2-amine?
The canonical SMILES for 1-(3,6-dimethoxy-6-methylcyclohexa-2,4-dien-1-yl)propan-2-amine is COC1=CC(CC(C)N)C(C)(OC)C=C1.
What is the InChIKey of 1-(3,6-dimethoxy-6-methylcyclohexa-2,4-dien-1-yl)propan-2-amine?
The InChIKey is RHGPXYKAPWDDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9(13)7-10-8-11(14-3)5-6-12(10,2)15-4/h5-6,8-10H,7,13H2,1-4H3.
What are the key properties of 1-(3,6-dimethoxy-6-methylcyclohexa-2,4-dien-1-yl)propan-2-amine?
1-(3,6-dimethoxy-6-methylcyclohexa-2,4-dien-1-yl)propan-2-amine has a molecular weight of 211.30 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethoxy-6-methylcyclohexa-2,4-dien-1-yl)propan-2-amine is sourced from PubChem (CID 69379349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).