1-[ethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]-2-methylpropan-2-ol

C18H31NO2 — CID 78962368

IUPAC1-[ethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]-2-methylpropan-2-ol
SMILESCCN(CCOc1ccc(C(C)C)c(C)c1)CC(C)(C)O
InChIInChI=1S/C18H31NO2/c1-7-19(13-18(5,6)20)10-11-21-16-8-9-17(14(2)3)15(4)12-16/h8-9,12,14,20H,7,10-11,13H2,1-6H3
InChIKeyOXSPNSBKCBYJSX-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.59
Rot. Bonds8

About 1-[ethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]-2-methylpropan-2-ol

1-[ethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]-2-methylpropan-2-ol (PubChem CID 78962368) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-[ethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[ethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]-2-methylpropan-2-ol
PubChem CID78962368
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name1-[ethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]-2-methylpropan-2-ol
SMILESCCN(CCOc1ccc(C(C)C)c(C)c1)CC(C)(C)O
InChIInChI=1S/C18H31NO2/c1-7-19(13-18(5,6)20)10-11-21-16-8-9-17(14(2)3)15(4)12-16/h8-9,12,14,20H,7,10-11,13H2,1-6H3
InChIKeyOXSPNSBKCBYJSX-UHFFFAOYSA-N
XLogP3.59
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[ethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]-2-methylpropan-2-ol with MolForge

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Related Compounds

2-methyl-1-[methyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]propan-2-ol
CID 78964659
2-[2-hydroxyethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]ethanol
CID 60686361
1-[2-(3-chlorophenoxy)ethyl-ethylamino]-2-methylpropan-2-ol
CID 79389653
2-methyl-2-[methyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]propan-1-ol
CID 115637938
2-[2-methoxyethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]ethanol
CID 115613652
1-[2-(2,5-dimethylphenoxy)ethyl-ethylamino]-2-methylpropan-2-ol
CID 78963538
1-(diethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 4597513
3-(3-methyl-4-propan-2-ylphenoxy)propan-1-ol
CID 43509991
1-(diethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride
CID 45124676
N'-methyl-N'-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine
CID 62688459
3-[methyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]propanoic acid
CID 60987347
2-methyl-N-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]propan-2-amine
CID 2299544

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[ethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]-2-methylpropan-2-ol (CID 78962368) is 1-[ethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[ethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[ethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]-2-methylpropan-2-ol is CCN(CCOc1ccc(C(C)C)c(C)c1)CC(C)(C)O.
What is the InChIKey of 1-[ethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]-2-methylpropan-2-ol?
The InChIKey is OXSPNSBKCBYJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-7-19(13-18(5,6)20)10-11-21-16-8-9-17(14(2)3)15(4)12-16/h8-9,12,14,20H,7,10-11,13H2,1-6H3.
What are the key properties of 1-[ethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]-2-methylpropan-2-ol?
1-[ethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]-2-methylpropan-2-ol has a molecular weight of 293.45 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 78962368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).