2-cyclohexa-2,4-dien-1-yloxy-N-ethyl-N-methylethanamine

C11H19NO — CID 143193252

IUPAC2-cyclohexa-2,4-dien-1-yloxy-N-ethyl-N-methylethanamine
SMILESCCN(C)CCOC1C=CC=CC1
InChIInChI=1S/C11H19NO/c1-3-12(2)9-10-13-11-7-5-4-6-8-11/h4-7,11H,3,8-10H2,1-2H3
InChIKeyZGVVMYAKZUAQAG-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.84
Rot. Bonds5

About 2-cyclohexa-2,4-dien-1-yloxy-N-ethyl-N-methylethanamine

2-cyclohexa-2,4-dien-1-yloxy-N-ethyl-N-methylethanamine (PubChem CID 143193252) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-cyclohexa-2,4-dien-1-yloxy-N-ethyl-N-methylethanamine.

Molecular Properties

Compound Name2-cyclohexa-2,4-dien-1-yloxy-N-ethyl-N-methylethanamine
PubChem CID143193252
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-cyclohexa-2,4-dien-1-yloxy-N-ethyl-N-methylethanamine
SMILESCCN(C)CCOC1C=CC=CC1
InChIInChI=1S/C11H19NO/c1-3-12(2)9-10-13-11-7-5-4-6-8-11/h4-7,11H,3,8-10H2,1-2H3
InChIKeyZGVVMYAKZUAQAG-UHFFFAOYSA-N
XLogP1.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorocyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylethanamine
CID 169112623
N-(2-cyclohexa-1,5-dien-1-yloxyethyl)-N-propan-2-ylpropan-2-amine
CID 17898820
2-cyclohexa-2,4-dien-1-yloxy-N,N-dimethylethanamine
CID 19836973
2-cyclohexa-1,5-dien-1-yloxy-N,N-diethylethanamine
CID 20156375
2-cyclohexa-1,5-dien-1-yloxy-N,N-dimethylethanamine
CID 22619772
2-Ethyl-4-methyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine
CID 58787092
p-N,N-dimethylaminoethoxy 4-iodobenzene hydrogen chloride
CID 67586536
p-N,N-dimethylaminoethoxy 4-iodobenzene
CID 67586537
2-(1-bromocyclohexa-2,4-dien-1-yl)oxy-N,N-dimethylethanamine
CID 67925311
3-[2-(Diethylamino)ethoxy]cyclohexa-1,5-dien-1-amine
CID 68306195
3-cyclohexa-2,4-dien-1-yloxy-N,N,2-trimethylpropan-1-amine
CID 68312152
(6S)-N,N-diethyl-6-methoxycyclohexa-1,3-dien-1-amine
CID 68348592

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-2,4-dien-1-yloxy-N-ethyl-N-methylethanamine?
The IUPAC name of 2-cyclohexa-2,4-dien-1-yloxy-N-ethyl-N-methylethanamine (CID 143193252) is 2-cyclohexa-2,4-dien-1-yloxy-N-ethyl-N-methylethanamine.
What is the SMILES notation for 2-cyclohexa-2,4-dien-1-yloxy-N-ethyl-N-methylethanamine?
The canonical SMILES for 2-cyclohexa-2,4-dien-1-yloxy-N-ethyl-N-methylethanamine is CCN(C)CCOC1C=CC=CC1.
What is the InChIKey of 2-cyclohexa-2,4-dien-1-yloxy-N-ethyl-N-methylethanamine?
The InChIKey is ZGVVMYAKZUAQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-12(2)9-10-13-11-7-5-4-6-8-11/h4-7,11H,3,8-10H2,1-2H3.
What are the key properties of 2-cyclohexa-2,4-dien-1-yloxy-N-ethyl-N-methylethanamine?
2-cyclohexa-2,4-dien-1-yloxy-N-ethyl-N-methylethanamine has a molecular weight of 181.28 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-2,4-dien-1-yloxy-N-ethyl-N-methylethanamine is sourced from PubChem (CID 143193252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).