2-(2,5-dimethoxycyclohexa-1,5-dien-1-yl)ethanamine

C10H17NO2 — CID 167269316

IUPAC2-(2,5-dimethoxycyclohexa-1,5-dien-1-yl)ethanamine
SMILESCOC1=CC(CCN)=C(OC)CC1
InChIInChI=1S/C10H17NO2/c1-12-9-3-4-10(13-2)8(7-9)5-6-11/h7H,3-6,11H2,1-2H3
InChIKeyBOWDUNQYVUVHRX-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.56
Rot. Bonds4

About 2-(2,5-dimethoxycyclohexa-1,5-dien-1-yl)ethanamine

2-(2,5-dimethoxycyclohexa-1,5-dien-1-yl)ethanamine (PubChem CID 167269316) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-(2,5-dimethoxycyclohexa-1,5-dien-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethoxycyclohexa-1,5-dien-1-yl)ethanamine
PubChem CID167269316
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-(2,5-dimethoxycyclohexa-1,5-dien-1-yl)ethanamine
SMILESCOC1=CC(CCN)=C(OC)CC1
InChIInChI=1S/C10H17NO2/c1-12-9-3-4-10(13-2)8(7-9)5-6-11/h7H,3-6,11H2,1-2H3
InChIKeyBOWDUNQYVUVHRX-UHFFFAOYSA-N
XLogP1.56
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxycyclohexa-1,5-dien-1-yl)ethanamine?
The IUPAC name of 2-(2,5-dimethoxycyclohexa-1,5-dien-1-yl)ethanamine (CID 167269316) is 2-(2,5-dimethoxycyclohexa-1,5-dien-1-yl)ethanamine.
What is the SMILES notation for 2-(2,5-dimethoxycyclohexa-1,5-dien-1-yl)ethanamine?
The canonical SMILES for 2-(2,5-dimethoxycyclohexa-1,5-dien-1-yl)ethanamine is COC1=CC(CCN)=C(OC)CC1.
What is the InChIKey of 2-(2,5-dimethoxycyclohexa-1,5-dien-1-yl)ethanamine?
The InChIKey is BOWDUNQYVUVHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-12-9-3-4-10(13-2)8(7-9)5-6-11/h7H,3-6,11H2,1-2H3.
What are the key properties of 2-(2,5-dimethoxycyclohexa-1,5-dien-1-yl)ethanamine?
2-(2,5-dimethoxycyclohexa-1,5-dien-1-yl)ethanamine has a molecular weight of 183.25 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxycyclohexa-1,5-dien-1-yl)ethanamine is sourced from PubChem (CID 167269316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).