2-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethylamino]-1,2-bis(methylamino)ethanol

C18H33N3O3 — CID 88574919

IUPAC2-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethylamino]-1,2-bis(methylamino)ethanol
SMILESCCC(C)c1ccc(OC(C)OCCNC(NC)C(O)NC)cc1
InChIInChI=1S/C18H33N3O3/c1-6-13(2)15-7-9-16(10-8-15)24-14(3)23-12-11-21-17(19-4)18(22)20-5/h7-10,13-14,17-22H,6,11-12H2,1-5H3
InChIKeyJCSFOZJWRWMNFR-UHFFFAOYSA-N
MW339.48 g/mol
LogP1.61
Rot. Bonds12

About 2-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethylamino]-1,2-bis(methylamino)ethanol

2-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethylamino]-1,2-bis(methylamino)ethanol (PubChem CID 88574919) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethylamino]-1,2-bis(methylamino)ethanol.

Molecular Properties

Compound Name2-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethylamino]-1,2-bis(methylamino)ethanol
PubChem CID88574919
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC Name2-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethylamino]-1,2-bis(methylamino)ethanol
SMILESCCC(C)c1ccc(OC(C)OCCNC(NC)C(O)NC)cc1
InChIInChI=1S/C18H33N3O3/c1-6-13(2)15-7-9-16(10-8-15)24-14(3)23-12-11-21-17(19-4)18(22)20-5/h7-10,13-14,17-22H,6,11-12H2,1-5H3
InChIKeyJCSFOZJWRWMNFR-UHFFFAOYSA-N
XLogP1.61
TPSA74.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 51.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethylamino]-1,2-bis(methylamino)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl]carbamate
CID 123881424
1-butan-2-yl-4-(1-butoxyethoxy)benzene
CID 18739256
1-butan-2-yl-4-[1-[7-[1-(4-butan-2-ylphenoxy)ethoxy]heptoxy]ethoxy]benzene
CID 59687778
1-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl]-5-methylpyrazole
CID 20721896
1-butan-2-yl-4-[1-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 90919923
1-butan-2-yl-4-[1-(2-pentadecoxyethoxy)ethoxy]benzene
CID 58037077
1-butan-2-yl-4-[1-[2-(4-methoxyphenyl)ethoxy]ethoxy]benzene
CID 58079015
1-butan-2-yl-4-[1-[2-(4-pentan-3-ylphenyl)ethoxy]ethoxy]benzene
CID 145055463
1-butan-2-yl-4-[1-(4-phenylbutoxy)ethoxy]benzene
CID 21363315
1-[(2R)-butan-2-yl]-4-[1-(2-cyclohexylethoxy)ethoxy]benzene
CID 89233855
1-butan-2-yl-4-propan-2-yloxybenzene
CID 18730967
1-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-2-methylnaphthalene
CID 20722033

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethylamino]-1,2-bis(methylamino)ethanol?
The IUPAC name of 2-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethylamino]-1,2-bis(methylamino)ethanol (CID 88574919) is 2-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethylamino]-1,2-bis(methylamino)ethanol.
What is the SMILES notation for 2-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethylamino]-1,2-bis(methylamino)ethanol?
The canonical SMILES for 2-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethylamino]-1,2-bis(methylamino)ethanol is CCC(C)c1ccc(OC(C)OCCNC(NC)C(O)NC)cc1.
What is the InChIKey of 2-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethylamino]-1,2-bis(methylamino)ethanol?
The InChIKey is JCSFOZJWRWMNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-6-13(2)15-7-9-16(10-8-15)24-14(3)23-12-11-21-17(19-4)18(22)20-5/h7-10,13-14,17-22H,6,11-12H2,1-5H3.
What are the key properties of 2-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethylamino]-1,2-bis(methylamino)ethanol?
2-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethylamino]-1,2-bis(methylamino)ethanol has a molecular weight of 339.48 g/mol, XLogP of 1.61, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethylamino]-1,2-bis(methylamino)ethanol is sourced from PubChem (CID 88574919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).