2-[[4-(3-tert-butylphenyl)cyclohexen-1-yl]amino]oxyethanol

C18H27NO2 — CID 91193970

IUPAC2-[[4-(3-tert-butylphenyl)cyclohexen-1-yl]amino]oxyethanol
SMILESCC(C)(C)c1cccc(C2CC=C(NOCCO)CC2)c1
InChIInChI=1S/C18H27NO2/c1-18(2,3)16-6-4-5-15(13-16)14-7-9-17(10-8-14)19-21-12-11-20/h4-6,9,13-14,19-20H,7-8,10-12H2,1-3H3
InChIKeyIRFYMIIGXZQCHT-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.65
Rot. Bonds5

About 2-[[4-(3-tert-butylphenyl)cyclohexen-1-yl]amino]oxyethanol

2-[[4-(3-tert-butylphenyl)cyclohexen-1-yl]amino]oxyethanol (PubChem CID 91193970) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[[4-(3-tert-butylphenyl)cyclohexen-1-yl]amino]oxyethanol.

Molecular Properties

Compound Name2-[[4-(3-tert-butylphenyl)cyclohexen-1-yl]amino]oxyethanol
PubChem CID91193970
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-[[4-(3-tert-butylphenyl)cyclohexen-1-yl]amino]oxyethanol
SMILESCC(C)(C)c1cccc(C2CC=C(NOCCO)CC2)c1
InChIInChI=1S/C18H27NO2/c1-18(2,3)16-6-4-5-15(13-16)14-7-9-17(10-8-14)19-21-12-11-20/h4-6,9,13-14,19-20H,7-8,10-12H2,1-3H3
InChIKeyIRFYMIIGXZQCHT-UHFFFAOYSA-N
XLogP3.65
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[1-[4-(4-Methylphenyl)phenyl]ethenylamino]oxyethanol
CID 57280057
2-[1-(3-Phenylphenyl)ethenylamino]oxyethanol
CID 57291011
2-[1-(4-Phenylphenyl)prop-1-enylamino]oxyethanol
CID 57315445
4-(3-tert-butylphenyl)-N-ethoxycyclohexen-1-amine
CID 91120317
4-(3-tert-butylphenyl)-N-methoxycyclohexen-1-amine
CID 91165288
N-(2-aminoethoxy)-4-(3-tert-butylphenyl)cyclohexen-1-amine
CID 91337543
2-[[1-(1,6-Dimethylcyclohex-2-en-1-yl)-2-phenylethenyl]-(2-hydroxyethoxy)amino]oxyethanol
CID 173275623

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-tert-butylphenyl)cyclohexen-1-yl]amino]oxyethanol?
The IUPAC name of 2-[[4-(3-tert-butylphenyl)cyclohexen-1-yl]amino]oxyethanol (CID 91193970) is 2-[[4-(3-tert-butylphenyl)cyclohexen-1-yl]amino]oxyethanol.
What is the SMILES notation for 2-[[4-(3-tert-butylphenyl)cyclohexen-1-yl]amino]oxyethanol?
The canonical SMILES for 2-[[4-(3-tert-butylphenyl)cyclohexen-1-yl]amino]oxyethanol is CC(C)(C)c1cccc(C2CC=C(NOCCO)CC2)c1.
What is the InChIKey of 2-[[4-(3-tert-butylphenyl)cyclohexen-1-yl]amino]oxyethanol?
The InChIKey is IRFYMIIGXZQCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-18(2,3)16-6-4-5-15(13-16)14-7-9-17(10-8-14)19-21-12-11-20/h4-6,9,13-14,19-20H,7-8,10-12H2,1-3H3.
What are the key properties of 2-[[4-(3-tert-butylphenyl)cyclohexen-1-yl]amino]oxyethanol?
2-[[4-(3-tert-butylphenyl)cyclohexen-1-yl]amino]oxyethanol has a molecular weight of 289.42 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-tert-butylphenyl)cyclohexen-1-yl]amino]oxyethanol is sourced from PubChem (CID 91193970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).