2-(4,5-dimethoxy-5-methylcyclohexa-1,3-dien-1-yl)ethanamine

C11H19NO2 — CID 154348597

IUPAC2-(4,5-dimethoxy-5-methylcyclohexa-1,3-dien-1-yl)ethanamine
SMILESCOC1=CC=C(CCN)CC1(C)OC
InChIInChI=1S/C11H19NO2/c1-11(14-3)8-9(6-7-12)4-5-10(11)13-2/h4-5H,6-8,12H2,1-3H3
InChIKeyTWIRNJZVYLPWCN-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.60
Rot. Bonds4

About 2-(4,5-dimethoxy-5-methylcyclohexa-1,3-dien-1-yl)ethanamine

2-(4,5-dimethoxy-5-methylcyclohexa-1,3-dien-1-yl)ethanamine (PubChem CID 154348597) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(4,5-dimethoxy-5-methylcyclohexa-1,3-dien-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4,5-dimethoxy-5-methylcyclohexa-1,3-dien-1-yl)ethanamine
PubChem CID154348597
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-(4,5-dimethoxy-5-methylcyclohexa-1,3-dien-1-yl)ethanamine
SMILESCOC1=CC=C(CCN)CC1(C)OC
InChIInChI=1S/C11H19NO2/c1-11(14-3)8-9(6-7-12)4-5-10(11)13-2/h4-5H,6-8,12H2,1-3H3
InChIKeyTWIRNJZVYLPWCN-UHFFFAOYSA-N
XLogP1.60
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethoxy-5-methylcyclohexa-1,3-dien-1-yl)ethanamine?
The IUPAC name of 2-(4,5-dimethoxy-5-methylcyclohexa-1,3-dien-1-yl)ethanamine (CID 154348597) is 2-(4,5-dimethoxy-5-methylcyclohexa-1,3-dien-1-yl)ethanamine.
What is the SMILES notation for 2-(4,5-dimethoxy-5-methylcyclohexa-1,3-dien-1-yl)ethanamine?
The canonical SMILES for 2-(4,5-dimethoxy-5-methylcyclohexa-1,3-dien-1-yl)ethanamine is COC1=CC=C(CCN)CC1(C)OC.
What is the InChIKey of 2-(4,5-dimethoxy-5-methylcyclohexa-1,3-dien-1-yl)ethanamine?
The InChIKey is TWIRNJZVYLPWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(14-3)8-9(6-7-12)4-5-10(11)13-2/h4-5H,6-8,12H2,1-3H3.
What are the key properties of 2-(4,5-dimethoxy-5-methylcyclohexa-1,3-dien-1-yl)ethanamine?
2-(4,5-dimethoxy-5-methylcyclohexa-1,3-dien-1-yl)ethanamine has a molecular weight of 197.28 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethoxy-5-methylcyclohexa-1,3-dien-1-yl)ethanamine is sourced from PubChem (CID 154348597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).