2-(4-methoxycyclohexa-1,3-dien-1-yl)ethanamine

C9H15NO — CID 45090907

IUPAC2-(4-methoxycyclohexa-1,3-dien-1-yl)ethanamine
SMILESCOC1=CC=C(CCN)CC1
InChIInChI=1S/C9H15NO/c1-11-9-4-2-8(3-5-9)6-7-10/h2,4H,3,5-7,10H2,1H3
InChIKeyUZKUCZXFZYIKMH-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.59
Rot. Bonds3

About 2-(4-methoxycyclohexa-1,3-dien-1-yl)ethanamine

2-(4-methoxycyclohexa-1,3-dien-1-yl)ethanamine (PubChem CID 45090907) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-(4-methoxycyclohexa-1,3-dien-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-methoxycyclohexa-1,3-dien-1-yl)ethanamine
PubChem CID45090907
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-(4-methoxycyclohexa-1,3-dien-1-yl)ethanamine
SMILESCOC1=CC=C(CCN)CC1
InChIInChI=1S/C9H15NO/c1-11-9-4-2-8(3-5-9)6-7-10/h2,4H,3,5-7,10H2,1H3
InChIKeyUZKUCZXFZYIKMH-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,5-Dihydro-3-methoxyphenyl)butylamine
CID 578359
2-(5-Methoxycyclohexa-1,4-dien-1-yl)ethanamine
CID 12160618
3H-Tyramine
CID 129638138
2-(2-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-N-methylethanamine
CID 123146933
3h-Tyramine hydrochloride
CID 129718303
N-(3-methoxy-2-cyclohexenylidene)ethylamine
CID 129784528
(E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)non-6-en-1-amine
CID 143806728
2-(4-Methoxycyclohexa-1,4-dien-1-yl)ethanamine
CID 11435055
(4-Methoxycyclohex-3-en-1-yl)methanamine
CID 53231493
(4-Methoxycyclohexa-1,3-dien-1-yl)methanamine
CID 66581252
(4-Ethoxy-3-methylcyclohexa-1,3-dien-1-yl)methanamine
CID 89418548
2-(7-Methoxy-8,8a-dihydronaphthalen-1-yl)ethanamine
CID 89509531

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxycyclohexa-1,3-dien-1-yl)ethanamine?
The IUPAC name of 2-(4-methoxycyclohexa-1,3-dien-1-yl)ethanamine (CID 45090907) is 2-(4-methoxycyclohexa-1,3-dien-1-yl)ethanamine.
What is the SMILES notation for 2-(4-methoxycyclohexa-1,3-dien-1-yl)ethanamine?
The canonical SMILES for 2-(4-methoxycyclohexa-1,3-dien-1-yl)ethanamine is COC1=CC=C(CCN)CC1.
What is the InChIKey of 2-(4-methoxycyclohexa-1,3-dien-1-yl)ethanamine?
The InChIKey is UZKUCZXFZYIKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-11-9-4-2-8(3-5-9)6-7-10/h2,4H,3,5-7,10H2,1H3.
What are the key properties of 2-(4-methoxycyclohexa-1,3-dien-1-yl)ethanamine?
2-(4-methoxycyclohexa-1,3-dien-1-yl)ethanamine has a molecular weight of 153.22 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxycyclohexa-1,3-dien-1-yl)ethanamine is sourced from PubChem (CID 45090907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).