2-(4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)-N-methylethanamine

C11H19NO — CID 142187162

IUPAC2-(4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)-N-methylethanamine
SMILESCNCCC1=CC=C(OC)C(C)C1
InChIInChI=1S/C11H19NO/c1-9-8-10(6-7-12-2)4-5-11(9)13-3/h4-5,9,12H,6-8H2,1-3H3
InChIKeyQUILRVPJJGKWIJ-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.09
Rot. Bonds4

About 2-(4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)-N-methylethanamine

2-(4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)-N-methylethanamine (PubChem CID 142187162) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-(4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)-N-methylethanamine
PubChem CID142187162
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-(4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)-N-methylethanamine
SMILESCNCCC1=CC=C(OC)C(C)C1
InChIInChI=1S/C11H19NO/c1-9-8-10(6-7-12-2)4-5-11(9)13-3/h4-5,9,12H,6-8H2,1-3H3
InChIKeyQUILRVPJJGKWIJ-UHFFFAOYSA-N
XLogP2.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-N-methylethanamine
CID 123146933
N-methyl-2-[4-(trifluoromethoxy)cyclohex-3-en-1-yl]ethanamine
CID 162603261
2-(7-Methoxy-8,8a-dihydronaphthalen-1-yl)ethanamine
CID 89509531
N-[2-(4-methoxycyclohexa-1,3-dien-1-yl)ethyl]propan-2-amine
CID 121257797
1-(4-methoxycyclohexa-2,4-dien-1-yl)-N-[(2-methoxycyclopenten-1-yl)methyl]methanamine
CID 122527862
3-ethyl-6-methoxy-N-(5-methylhex-5-enyl)hepta-3,5-dien-1-amine
CID 123331927
2-cyclobutyl-N-[(6-methylcyclohexen-1-yl)oxymethyl]propan-1-amine
CID 123500183
3-[5-(2-Ethylbutoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine
CID 130373189
3-[5-(cyclohexylmethoxy)cyclohexa-2,4-dien-1-yl]-N-methylpropan-1-amine
CID 130373192
4-[3-(4-Methoxycyclohexa-1,3-dien-1-yl)oxypropyl]piperidine
CID 139632101
(3E)-3-[(E)-3-methoxybut-2-enylidene]-N-methylcyclohexan-1-amine
CID 142933385
(3S)-3-(2-cyclohexa-1,3-dien-1-yloxyethyl)piperidine;ethane
CID 143093704

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)-N-methylethanamine?
The IUPAC name of 2-(4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)-N-methylethanamine (CID 142187162) is 2-(4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)-N-methylethanamine.
What is the SMILES notation for 2-(4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)-N-methylethanamine?
The canonical SMILES for 2-(4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)-N-methylethanamine is CNCCC1=CC=C(OC)C(C)C1.
What is the InChIKey of 2-(4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)-N-methylethanamine?
The InChIKey is QUILRVPJJGKWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-9-8-10(6-7-12-2)4-5-11(9)13-3/h4-5,9,12H,6-8H2,1-3H3.
What are the key properties of 2-(4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)-N-methylethanamine?
2-(4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)-N-methylethanamine has a molecular weight of 181.28 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)-N-methylethanamine is sourced from PubChem (CID 142187162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).