1-(4-methoxycyclohexa-2,4-dien-1-yl)ethanamine

C9H15NO — CID 123220389

IUPAC1-(4-methoxycyclohexa-2,4-dien-1-yl)ethanamine
SMILESCOC1=CCC(C(C)N)C=C1
InChIInChI=1S/C9H15NO/c1-7(10)8-3-5-9(11-2)6-4-8/h3,5-8H,4,10H2,1-2H3
InChIKeySCLZGGYWSIQMFY-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.44
Rot. Bonds2

About 1-(4-methoxycyclohexa-2,4-dien-1-yl)ethanamine

1-(4-methoxycyclohexa-2,4-dien-1-yl)ethanamine (PubChem CID 123220389) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-(4-methoxycyclohexa-2,4-dien-1-yl)ethanamine.

Molecular Properties

Compound Name1-(4-methoxycyclohexa-2,4-dien-1-yl)ethanamine
PubChem CID123220389
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-(4-methoxycyclohexa-2,4-dien-1-yl)ethanamine
SMILESCOC1=CCC(C(C)N)C=C1
InChIInChI=1S/C9H15NO/c1-7(10)8-3-5-9(11-2)6-4-8/h3,5-8H,4,10H2,1-2H3
InChIKeySCLZGGYWSIQMFY-UHFFFAOYSA-N
XLogP1.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxycyclohexa-2,4-dien-1-yl)ethanamine?
The IUPAC name of 1-(4-methoxycyclohexa-2,4-dien-1-yl)ethanamine (CID 123220389) is 1-(4-methoxycyclohexa-2,4-dien-1-yl)ethanamine.
What is the SMILES notation for 1-(4-methoxycyclohexa-2,4-dien-1-yl)ethanamine?
The canonical SMILES for 1-(4-methoxycyclohexa-2,4-dien-1-yl)ethanamine is COC1=CCC(C(C)N)C=C1.
What is the InChIKey of 1-(4-methoxycyclohexa-2,4-dien-1-yl)ethanamine?
The InChIKey is SCLZGGYWSIQMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7(10)8-3-5-9(11-2)6-4-8/h3,5-8H,4,10H2,1-2H3.
What are the key properties of 1-(4-methoxycyclohexa-2,4-dien-1-yl)ethanamine?
1-(4-methoxycyclohexa-2,4-dien-1-yl)ethanamine has a molecular weight of 153.22 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxycyclohexa-2,4-dien-1-yl)ethanamine is sourced from PubChem (CID 123220389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).