1-[2-(2-ethoxyphenoxy)ethylamino]-4,4-dimethylpentan-2-ol

C17H29NO3 — CID 107152104

IUPAC1-[2-(2-ethoxyphenoxy)ethylamino]-4,4-dimethylpentan-2-ol
SMILESCCOc1ccccc1OCCNCC(O)CC(C)(C)C
InChIInChI=1S/C17H29NO3/c1-5-20-15-8-6-7-9-16(15)21-11-10-18-13-14(19)12-17(2,3)4/h6-9,14,18-19H,5,10-13H2,1-4H3
InChIKeyFGVLTZXAHRURDQ-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.85
Rot. Bonds9

About 1-[2-(2-ethoxyphenoxy)ethylamino]-4,4-dimethylpentan-2-ol

1-[2-(2-ethoxyphenoxy)ethylamino]-4,4-dimethylpentan-2-ol (PubChem CID 107152104) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-[2-(2-ethoxyphenoxy)ethylamino]-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[2-(2-ethoxyphenoxy)ethylamino]-4,4-dimethylpentan-2-ol
PubChem CID107152104
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-[2-(2-ethoxyphenoxy)ethylamino]-4,4-dimethylpentan-2-ol
SMILESCCOc1ccccc1OCCNCC(O)CC(C)(C)C
InChIInChI=1S/C17H29NO3/c1-5-20-15-8-6-7-9-16(15)21-11-10-18-13-14(19)12-17(2,3)4/h6-9,14,18-19H,5,10-13H2,1-4H3
InChIKeyFGVLTZXAHRURDQ-UHFFFAOYSA-N
XLogP2.85
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-ethoxyphenoxy)ethyl]-2-methylpropan-1-amine
CID 62454697
1-[2-(2-ethoxyphenoxy)ethylamino]-2,4-dimethylpentan-2-ol
CID 66174057
(2S)-1-[2-(2-methoxyphenoxy)ethylamino]-3-propoxypropan-2-ol
CID 125487777
N-[2-(2-ethoxyphenoxy)ethyl]-2-methylpropan-2-amine
CID 55070885
1-[2-(2-methoxyphenoxy)ethylamino]-4-methylpentan-2-ol
CID 107152431
2-[[2-(2-ethoxyphenoxy)ethylamino]methyl]phenol
CID 114332030
N-[2-(2-ethoxyphenoxy)ethyl]pentan-1-amine
CID 62572725
N-[2-(2-ethoxyphenoxy)ethyl]-2-methylbutan-2-amine
CID 55088165
(2R)-1-[(E)-hex-3-enoxy]-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
CID 125487765
5-[2-(2-ethoxyphenoxy)ethylamino]-2-methylpentan-1-ol
CID 106160266
4-chloro-N-[2-(2-ethoxyphenoxy)ethyl]pentan-1-amine
CID 106121638
4-[[2-(2-ethoxyphenoxy)ethylamino]methyl]cyclohexan-1-ol
CID 106133459

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethoxyphenoxy)ethylamino]-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-[2-(2-ethoxyphenoxy)ethylamino]-4,4-dimethylpentan-2-ol (CID 107152104) is 1-[2-(2-ethoxyphenoxy)ethylamino]-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[2-(2-ethoxyphenoxy)ethylamino]-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[2-(2-ethoxyphenoxy)ethylamino]-4,4-dimethylpentan-2-ol is CCOc1ccccc1OCCNCC(O)CC(C)(C)C.
What is the InChIKey of 1-[2-(2-ethoxyphenoxy)ethylamino]-4,4-dimethylpentan-2-ol?
The InChIKey is FGVLTZXAHRURDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-5-20-15-8-6-7-9-16(15)21-11-10-18-13-14(19)12-17(2,3)4/h6-9,14,18-19H,5,10-13H2,1-4H3.
What are the key properties of 1-[2-(2-ethoxyphenoxy)ethylamino]-4,4-dimethylpentan-2-ol?
1-[2-(2-ethoxyphenoxy)ethylamino]-4,4-dimethylpentan-2-ol has a molecular weight of 295.42 g/mol, XLogP of 2.85, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethoxyphenoxy)ethylamino]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 107152104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).