1-[2-(2,5-dimethylphenoxy)ethyl-ethylamino]-2-methylpropan-2-ol

C16H27NO2 — CID 78963538

IUPAC1-[2-(2,5-dimethylphenoxy)ethyl-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CCOc1cc(C)ccc1C)CC(C)(C)O
InChIInChI=1S/C16H27NO2/c1-6-17(12-16(4,5)18)9-10-19-15-11-13(2)7-8-14(15)3/h7-8,11,18H,6,9-10,12H2,1-5H3
InChIKeyZZWCHCZNIKGFLG-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.78
Rot. Bonds7

About 1-[2-(2,5-dimethylphenoxy)ethyl-ethylamino]-2-methylpropan-2-ol

1-[2-(2,5-dimethylphenoxy)ethyl-ethylamino]-2-methylpropan-2-ol (PubChem CID 78963538) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylphenoxy)ethyl-ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[2-(2,5-dimethylphenoxy)ethyl-ethylamino]-2-methylpropan-2-ol
PubChem CID78963538
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-[2-(2,5-dimethylphenoxy)ethyl-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CCOc1cc(C)ccc1C)CC(C)(C)O
InChIInChI=1S/C16H27NO2/c1-6-17(12-16(4,5)18)9-10-19-15-11-13(2)7-8-14(15)3/h7-8,11,18H,6,9-10,12H2,1-5H3
InChIKeyZZWCHCZNIKGFLG-UHFFFAOYSA-N
XLogP2.78
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,5-dimethylphenoxy)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide
CID 79376617
1-[(2,5-dimethylphenyl)methyl-ethylamino]-2-methylpropan-2-ol
CID 78963628
1-[ethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]-2-methylpropan-2-ol
CID 78962368
N-[2-(diethylamino)ethyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 54783817
N'-[2-(2,5-dimethylphenoxy)ethyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79653205
1-[ethyl-[2-(4-methylphenyl)sulfanylethyl]amino]-2-methylpropan-2-ol
CID 79390512
1,4-dimethyl-2-pentoxybenzene
CID 59184214
2-[6-(2,5-dimethylphenoxy)hexyl-(2-hydroxyethyl)amino]ethanol
CID 118501595
(2,5-dimethylphenoxy)methanol;ethane
CID 143103425
2-[2-(2,5-dimethylphenoxy)ethyl-prop-2-enylamino]acetic acid
CID 79277521
3-[2-(diethylamino)ethoxy]-4-methylbenzenecarboximidamide
CID 107912552
2-hexadecoxy-1,4-dimethylbenzene
CID 102286063

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylphenoxy)ethyl-ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[2-(2,5-dimethylphenoxy)ethyl-ethylamino]-2-methylpropan-2-ol (CID 78963538) is 1-[2-(2,5-dimethylphenoxy)ethyl-ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[2-(2,5-dimethylphenoxy)ethyl-ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[2-(2,5-dimethylphenoxy)ethyl-ethylamino]-2-methylpropan-2-ol is CCN(CCOc1cc(C)ccc1C)CC(C)(C)O.
What is the InChIKey of 1-[2-(2,5-dimethylphenoxy)ethyl-ethylamino]-2-methylpropan-2-ol?
The InChIKey is ZZWCHCZNIKGFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-6-17(12-16(4,5)18)9-10-19-15-11-13(2)7-8-14(15)3/h7-8,11,18H,6,9-10,12H2,1-5H3.
What are the key properties of 1-[2-(2,5-dimethylphenoxy)ethyl-ethylamino]-2-methylpropan-2-ol?
1-[2-(2,5-dimethylphenoxy)ethyl-ethylamino]-2-methylpropan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylphenoxy)ethyl-ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 78963538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).