5-[2-(2-ethoxyphenoxy)ethylamino]-2-methylpentan-1-ol

C16H27NO3 — CID 106160266

IUPAC5-[2-(2-ethoxyphenoxy)ethylamino]-2-methylpentan-1-ol
SMILESCCOc1ccccc1OCCNCCCC(C)CO
InChIInChI=1S/C16H27NO3/c1-3-19-15-8-4-5-9-16(15)20-12-11-17-10-6-7-14(2)13-18/h4-5,8-9,14,17-18H,3,6-7,10-13H2,1-2H3
InChIKeyXAIZQKOLBGCVBT-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.46
Rot. Bonds11

About 5-[2-(2-ethoxyphenoxy)ethylamino]-2-methylpentan-1-ol

5-[2-(2-ethoxyphenoxy)ethylamino]-2-methylpentan-1-ol (PubChem CID 106160266) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 5-[2-(2-ethoxyphenoxy)ethylamino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-[2-(2-ethoxyphenoxy)ethylamino]-2-methylpentan-1-ol
PubChem CID106160266
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name5-[2-(2-ethoxyphenoxy)ethylamino]-2-methylpentan-1-ol
SMILESCCOc1ccccc1OCCNCCCC(C)CO
InChIInChI=1S/C16H27NO3/c1-3-19-15-8-4-5-9-16(15)20-12-11-17-10-6-7-14(2)13-18/h4-5,8-9,14,17-18H,3,6-7,10-13H2,1-2H3
InChIKeyXAIZQKOLBGCVBT-UHFFFAOYSA-N
XLogP2.46
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.46
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

4-chloro-N-[2-(2-ethoxyphenoxy)ethyl]pentan-1-amine
CID 106121638
N-[2-(2-ethoxyphenoxy)ethyl]pentan-1-amine
CID 62572725
N-[2-(2-ethoxyphenoxy)ethyl]-2-methylpropan-1-amine
CID 62454697
5-[2-(2-methoxyphenoxy)ethylamino]pentan-2-ol
CID 114147540
N-[2-(2-ethoxyphenoxy)ethyl]-6-iodohexan-1-amine
CID 107844838
5-[2-(4-bromophenoxy)ethylamino]-2-methylpentan-1-ol
CID 106160128
N-[2-(2-ethoxyphenoxy)ethyl]-3-(4-methoxyphenoxy)propan-1-amine;hydrochloride
CID 18793164
2-methyl-5-[(2-propan-2-yloxyphenyl)methylamino]pentan-1-ol
CID 103859618
4-(2-methoxyphenoxy)-2-methylbutan-1-ol
CID 66060440
3-methyl-N-[2-(2-propoxyphenoxy)ethyl]butan-1-amine;hydrochloride
CID 117067339
2-[[2-(2-ethoxyphenoxy)ethylamino]methyl]phenol
CID 114332030
2-(2-ethoxyphenoxy)-N-(2-methylpropoxy)ethanamine
CID 82715408

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-ethoxyphenoxy)ethylamino]-2-methylpentan-1-ol?
The IUPAC name of 5-[2-(2-ethoxyphenoxy)ethylamino]-2-methylpentan-1-ol (CID 106160266) is 5-[2-(2-ethoxyphenoxy)ethylamino]-2-methylpentan-1-ol.
What is the SMILES notation for 5-[2-(2-ethoxyphenoxy)ethylamino]-2-methylpentan-1-ol?
The canonical SMILES for 5-[2-(2-ethoxyphenoxy)ethylamino]-2-methylpentan-1-ol is CCOc1ccccc1OCCNCCCC(C)CO.
What is the InChIKey of 5-[2-(2-ethoxyphenoxy)ethylamino]-2-methylpentan-1-ol?
The InChIKey is XAIZQKOLBGCVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-3-19-15-8-4-5-9-16(15)20-12-11-17-10-6-7-14(2)13-18/h4-5,8-9,14,17-18H,3,6-7,10-13H2,1-2H3.
What are the key properties of 5-[2-(2-ethoxyphenoxy)ethylamino]-2-methylpentan-1-ol?
5-[2-(2-ethoxyphenoxy)ethylamino]-2-methylpentan-1-ol has a molecular weight of 281.40 g/mol, XLogP of 2.46, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-ethoxyphenoxy)ethylamino]-2-methylpentan-1-ol is sourced from PubChem (CID 106160266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).