2-[2-ethoxyethyl(ethyl)amino]-1-(4-propan-2-yloxyphenyl)ethanol

C17H29NO3 — CID 63692094

IUPAC2-[2-ethoxyethyl(ethyl)amino]-1-(4-propan-2-yloxyphenyl)ethanol
SMILESCCOCCN(CC)CC(O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C17H29NO3/c1-5-18(11-12-20-6-2)13-17(19)15-7-9-16(10-8-15)21-14(3)4/h7-10,14,17,19H,5-6,11-13H2,1-4H3
InChIKeyPJDGEKRIQMXOGF-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.87
Rot. Bonds10

About 2-[2-ethoxyethyl(ethyl)amino]-1-(4-propan-2-yloxyphenyl)ethanol

2-[2-ethoxyethyl(ethyl)amino]-1-(4-propan-2-yloxyphenyl)ethanol (PubChem CID 63692094) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 2-[2-ethoxyethyl(ethyl)amino]-1-(4-propan-2-yloxyphenyl)ethanol.

Molecular Properties

Compound Name2-[2-ethoxyethyl(ethyl)amino]-1-(4-propan-2-yloxyphenyl)ethanol
PubChem CID63692094
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name2-[2-ethoxyethyl(ethyl)amino]-1-(4-propan-2-yloxyphenyl)ethanol
SMILESCCOCCN(CC)CC(O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C17H29NO3/c1-5-18(11-12-20-6-2)13-17(19)15-7-9-16(10-8-15)21-14(3)4/h7-10,14,17,19H,5-6,11-13H2,1-4H3
InChIKeyPJDGEKRIQMXOGF-UHFFFAOYSA-N
XLogP2.87
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanol
CID 111108552
1-(4-propan-2-yloxyphenyl)butan-1-ol
CID 22486858
2-[3-(dimethylamino)propyl-methylamino]-1-(4-propan-2-yloxyphenyl)ethanol
CID 63699784
N',N'-diethyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 16781981
2-[bis(2-methoxyethyl)amino]-1-(4-methoxyphenyl)ethanol
CID 60980971
N,N',N'-triethyl-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine
CID 79094593
(1S)-1-[4-(ethoxymethoxy)phenyl]propan-1-ol
CID 79005366
N'-(2-ethoxyethyl)-N,N'-diethyl-1-(4-ethylphenyl)ethane-1,2-diamine
CID 63697022
1-[2-ethoxyethyl(ethyl)amino]-3,3-dimethylbutan-2-ol
CID 63691569
2-[ethyl(2-methylpropyl)amino]-1-(4-propan-2-ylphenyl)ethanol
CID 54949371
3-[[3-hydroxy-3-(4-propan-2-yloxyphenyl)propyl]-propylamino]propanoic acid
CID 110830650
2-[ethyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanol
CID 82215871

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxyethyl(ethyl)amino]-1-(4-propan-2-yloxyphenyl)ethanol?
The IUPAC name of 2-[2-ethoxyethyl(ethyl)amino]-1-(4-propan-2-yloxyphenyl)ethanol (CID 63692094) is 2-[2-ethoxyethyl(ethyl)amino]-1-(4-propan-2-yloxyphenyl)ethanol.
What is the SMILES notation for 2-[2-ethoxyethyl(ethyl)amino]-1-(4-propan-2-yloxyphenyl)ethanol?
The canonical SMILES for 2-[2-ethoxyethyl(ethyl)amino]-1-(4-propan-2-yloxyphenyl)ethanol is CCOCCN(CC)CC(O)c1ccc(OC(C)C)cc1.
What is the InChIKey of 2-[2-ethoxyethyl(ethyl)amino]-1-(4-propan-2-yloxyphenyl)ethanol?
The InChIKey is PJDGEKRIQMXOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-5-18(11-12-20-6-2)13-17(19)15-7-9-16(10-8-15)21-14(3)4/h7-10,14,17,19H,5-6,11-13H2,1-4H3.
What are the key properties of 2-[2-ethoxyethyl(ethyl)amino]-1-(4-propan-2-yloxyphenyl)ethanol?
2-[2-ethoxyethyl(ethyl)amino]-1-(4-propan-2-yloxyphenyl)ethanol has a molecular weight of 295.42 g/mol, XLogP of 2.87, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxyethyl(ethyl)amino]-1-(4-propan-2-yloxyphenyl)ethanol is sourced from PubChem (CID 63692094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).