2-(1-iodocyclohexa-2,4-dien-1-yl)oxy-N,N-dimethylethanamine;hydrochloride

C10H17ClINO — CID 67586536

IUPAC2-(1-iodocyclohexa-2,4-dien-1-yl)oxy-N,N-dimethylethanamine;hydrochloride
SMILESCN(C)CCOC1(I)C=CC=CC1.Cl
InChIInChI=1S/C10H16INO.ClH/c1-12(2)8-9-13-10(11)6-4-3-5-7-10;/h3-6H,7-9H2,1-2H3;1H
InChIKeyDHZBMFYVEZQXJA-UHFFFAOYSA-N
MW329.61 g/mol
LogP2.63
Rot. Bonds4

About 2-(1-iodocyclohexa-2,4-dien-1-yl)oxy-N,N-dimethylethanamine;hydrochloride

2-(1-iodocyclohexa-2,4-dien-1-yl)oxy-N,N-dimethylethanamine;hydrochloride (PubChem CID 67586536) has the molecular formula C10H17ClINO and a molecular weight of 329.61 g/mol. Its IUPAC name is 2-(1-iodocyclohexa-2,4-dien-1-yl)oxy-N,N-dimethylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(1-iodocyclohexa-2,4-dien-1-yl)oxy-N,N-dimethylethanamine;hydrochloride
PubChem CID67586536
Molecular FormulaC10H17ClINO
Molecular Weight329.61 g/mol
Exact Mass329.00
IUPAC Name2-(1-iodocyclohexa-2,4-dien-1-yl)oxy-N,N-dimethylethanamine;hydrochloride
SMILESCN(C)CCOC1(I)C=CC=CC1.Cl
InChIInChI=1S/C10H16INO.ClH/c1-12(2)8-9-13-10(11)6-4-3-5-7-10;/h3-6H,7-9H2,1-2H3;1H
InChIKeyDHZBMFYVEZQXJA-UHFFFAOYSA-N
XLogP2.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.61
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-iodocyclohexa-2,4-dien-1-yl)oxy-N,N-dimethylethanamine;hydrochloride?
The IUPAC name of 2-(1-iodocyclohexa-2,4-dien-1-yl)oxy-N,N-dimethylethanamine;hydrochloride (CID 67586536) is 2-(1-iodocyclohexa-2,4-dien-1-yl)oxy-N,N-dimethylethanamine;hydrochloride.
What is the SMILES notation for 2-(1-iodocyclohexa-2,4-dien-1-yl)oxy-N,N-dimethylethanamine;hydrochloride?
The canonical SMILES for 2-(1-iodocyclohexa-2,4-dien-1-yl)oxy-N,N-dimethylethanamine;hydrochloride is CN(C)CCOC1(I)C=CC=CC1.Cl.
What is the InChIKey of 2-(1-iodocyclohexa-2,4-dien-1-yl)oxy-N,N-dimethylethanamine;hydrochloride?
The InChIKey is DHZBMFYVEZQXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16INO.ClH/c1-12(2)8-9-13-10(11)6-4-3-5-7-10;/h3-6H,7-9H2,1-2H3;1H.
What are the key properties of 2-(1-iodocyclohexa-2,4-dien-1-yl)oxy-N,N-dimethylethanamine;hydrochloride?
2-(1-iodocyclohexa-2,4-dien-1-yl)oxy-N,N-dimethylethanamine;hydrochloride has a molecular weight of 329.61 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-iodocyclohexa-2,4-dien-1-yl)oxy-N,N-dimethylethanamine;hydrochloride is sourced from PubChem (CID 67586536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).