2-[(1-ethoxycyclohexa-2,4-dien-1-yl)amino]ethanol

C10H17NO2 — CID 67593506

IUPAC2-[(1-ethoxycyclohexa-2,4-dien-1-yl)amino]ethanol
SMILESCCOC1(NCCO)C=CC=CC1
InChIInChI=1S/C10H17NO2/c1-2-13-10(11-8-9-12)6-4-3-5-7-10/h3-6,11-12H,2,7-9H2,1H3
InChIKeyHIVHKPBFJKBUHX-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.82
Rot. Bonds5

About 2-[(1-ethoxycyclohexa-2,4-dien-1-yl)amino]ethanol

2-[(1-ethoxycyclohexa-2,4-dien-1-yl)amino]ethanol (PubChem CID 67593506) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-[(1-ethoxycyclohexa-2,4-dien-1-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(1-ethoxycyclohexa-2,4-dien-1-yl)amino]ethanol
PubChem CID67593506
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-[(1-ethoxycyclohexa-2,4-dien-1-yl)amino]ethanol
SMILESCCOC1(NCCO)C=CC=CC1
InChIInChI=1S/C10H17NO2/c1-2-13-10(11-8-9-12)6-4-3-5-7-10/h3-6,11-12H,2,7-9H2,1H3
InChIKeyHIVHKPBFJKBUHX-UHFFFAOYSA-N
XLogP0.82
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethoxycyclohexa-2,4-dien-1-yl)amino]ethanol?
The IUPAC name of 2-[(1-ethoxycyclohexa-2,4-dien-1-yl)amino]ethanol (CID 67593506) is 2-[(1-ethoxycyclohexa-2,4-dien-1-yl)amino]ethanol.
What is the SMILES notation for 2-[(1-ethoxycyclohexa-2,4-dien-1-yl)amino]ethanol?
The canonical SMILES for 2-[(1-ethoxycyclohexa-2,4-dien-1-yl)amino]ethanol is CCOC1(NCCO)C=CC=CC1.
What is the InChIKey of 2-[(1-ethoxycyclohexa-2,4-dien-1-yl)amino]ethanol?
The InChIKey is HIVHKPBFJKBUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-13-10(11-8-9-12)6-4-3-5-7-10/h3-6,11-12H,2,7-9H2,1H3.
What are the key properties of 2-[(1-ethoxycyclohexa-2,4-dien-1-yl)amino]ethanol?
2-[(1-ethoxycyclohexa-2,4-dien-1-yl)amino]ethanol has a molecular weight of 183.25 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethoxycyclohexa-2,4-dien-1-yl)amino]ethanol is sourced from PubChem (CID 67593506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).