2-(6-methoxycyclohexa-2,4-dien-1-yl)ethanamine

C9H15NO — CID 118124509

IUPAC2-(6-methoxycyclohexa-2,4-dien-1-yl)ethanamine
SMILESCOC1C=CC=CC1CCN
InChIInChI=1S/C9H15NO/c1-11-9-5-3-2-4-8(9)6-7-10/h2-5,8-9H,6-7,10H2,1H3
InChIKeyBFLMLCNKVYZMEM-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.09
Rot. Bonds3

About 2-(6-methoxycyclohexa-2,4-dien-1-yl)ethanamine

2-(6-methoxycyclohexa-2,4-dien-1-yl)ethanamine (PubChem CID 118124509) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-(6-methoxycyclohexa-2,4-dien-1-yl)ethanamine.

Molecular Properties

Compound Name2-(6-methoxycyclohexa-2,4-dien-1-yl)ethanamine
PubChem CID118124509
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-(6-methoxycyclohexa-2,4-dien-1-yl)ethanamine
SMILESCOC1C=CC=CC1CCN
InChIInChI=1S/C9H15NO/c1-11-9-5-3-2-4-8(9)6-7-10/h2-5,8-9H,6-7,10H2,1H3
InChIKeyBFLMLCNKVYZMEM-UHFFFAOYSA-N
XLogP1.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxycyclohexa-2,4-dien-1-yl)ethanamine?
The IUPAC name of 2-(6-methoxycyclohexa-2,4-dien-1-yl)ethanamine (CID 118124509) is 2-(6-methoxycyclohexa-2,4-dien-1-yl)ethanamine.
What is the SMILES notation for 2-(6-methoxycyclohexa-2,4-dien-1-yl)ethanamine?
The canonical SMILES for 2-(6-methoxycyclohexa-2,4-dien-1-yl)ethanamine is COC1C=CC=CC1CCN.
What is the InChIKey of 2-(6-methoxycyclohexa-2,4-dien-1-yl)ethanamine?
The InChIKey is BFLMLCNKVYZMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-11-9-5-3-2-4-8(9)6-7-10/h2-5,8-9H,6-7,10H2,1H3.
What are the key properties of 2-(6-methoxycyclohexa-2,4-dien-1-yl)ethanamine?
2-(6-methoxycyclohexa-2,4-dien-1-yl)ethanamine has a molecular weight of 153.22 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxycyclohexa-2,4-dien-1-yl)ethanamine is sourced from PubChem (CID 118124509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).