2-[2-(3,6-dimethylcyclohexa-2,4-dien-1-yl)oxyethyl-ethylamino]ethanol

C14H25NO2 — CID 143536226

IUPAC2-[2-(3,6-dimethylcyclohexa-2,4-dien-1-yl)oxyethyl-ethylamino]ethanol
SMILESCCN(CCO)CCOC1C=C(C)C=CC1C
InChIInChI=1S/C14H25NO2/c1-4-15(7-9-16)8-10-17-14-11-12(2)5-6-13(14)3/h5-6,11,13-14,16H,4,7-10H2,1-3H3
InChIKeyFAACTBCPUNEAQX-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.84
Rot. Bonds7

About 2-[2-(3,6-dimethylcyclohexa-2,4-dien-1-yl)oxyethyl-ethylamino]ethanol

2-[2-(3,6-dimethylcyclohexa-2,4-dien-1-yl)oxyethyl-ethylamino]ethanol (PubChem CID 143536226) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[2-(3,6-dimethylcyclohexa-2,4-dien-1-yl)oxyethyl-ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-(3,6-dimethylcyclohexa-2,4-dien-1-yl)oxyethyl-ethylamino]ethanol
PubChem CID143536226
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-[2-(3,6-dimethylcyclohexa-2,4-dien-1-yl)oxyethyl-ethylamino]ethanol
SMILESCCN(CCO)CCOC1C=C(C)C=CC1C
InChIInChI=1S/C14H25NO2/c1-4-15(7-9-16)8-10-17-14-11-12(2)5-6-13(14)3/h5-6,11,13-14,16H,4,7-10H2,1-3H3
InChIKeyFAACTBCPUNEAQX-UHFFFAOYSA-N
XLogP1.84
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexa-2,4-dien-1-yloxy-N,N-dimethylethanamine
CID 19836973
2-[1-(2-methoxycyclohexa-1,5-dien-1-yl)ethoxy]-N,N-dimethylethanamine
CID 89688794
[4-[2-(4-Methylpiperazin-1-yl)ethoxy]cyclohexa-1,5-dien-1-yl]methanol
CID 123477859
2-[(3Z,5E)-6,7-dimethylocta-1,3,5-trien-2-yl]oxy-1-morpholin-4-ylethanol
CID 134297787
4-[(2Z,4E)-4-(1-methoxyethyl)hexa-2,4-dienyl]morpholine
CID 138636356
2-cyclohexa-2,4-dien-1-yloxy-N-ethyl-N-methylethanamine
CID 143193252
2-[2-[(2Z,4Z)-hepta-2,4-dienoxy]ethyl-(2-hydroxyethyl)amino]ethanol
CID 143519655
N,N-diethyl-2-(4-methoxycyclohexa-1,5-dien-1-yl)oxyethanamine
CID 143792123
N,N-diethyl-2-(4-methylcyclohexa-1,5-dien-1-yl)oxyethanamine
CID 146239604
2-methoxy-N-methyl-N-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]ethanamine
CID 155031392
4-Methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)morpholine
CID 168998878
2-[6-[2-(Diethylamino)ethoxy]cyclohexa-1,5-dien-1-yl]ethanol
CID 173236383

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,6-dimethylcyclohexa-2,4-dien-1-yl)oxyethyl-ethylamino]ethanol?
The IUPAC name of 2-[2-(3,6-dimethylcyclohexa-2,4-dien-1-yl)oxyethyl-ethylamino]ethanol (CID 143536226) is 2-[2-(3,6-dimethylcyclohexa-2,4-dien-1-yl)oxyethyl-ethylamino]ethanol.
What is the SMILES notation for 2-[2-(3,6-dimethylcyclohexa-2,4-dien-1-yl)oxyethyl-ethylamino]ethanol?
The canonical SMILES for 2-[2-(3,6-dimethylcyclohexa-2,4-dien-1-yl)oxyethyl-ethylamino]ethanol is CCN(CCO)CCOC1C=C(C)C=CC1C.
What is the InChIKey of 2-[2-(3,6-dimethylcyclohexa-2,4-dien-1-yl)oxyethyl-ethylamino]ethanol?
The InChIKey is FAACTBCPUNEAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-4-15(7-9-16)8-10-17-14-11-12(2)5-6-13(14)3/h5-6,11,13-14,16H,4,7-10H2,1-3H3.
What are the key properties of 2-[2-(3,6-dimethylcyclohexa-2,4-dien-1-yl)oxyethyl-ethylamino]ethanol?
2-[2-(3,6-dimethylcyclohexa-2,4-dien-1-yl)oxyethyl-ethylamino]ethanol has a molecular weight of 239.36 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,6-dimethylcyclohexa-2,4-dien-1-yl)oxyethyl-ethylamino]ethanol is sourced from PubChem (CID 143536226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).