2-amino-5-(2,6-dimethoxyphenoxy)-2-ethylpentan-1-ol

C15H25NO4 — CID 106810424

IUPAC2-amino-5-(2,6-dimethoxyphenoxy)-2-ethylpentan-1-ol
SMILESCCC(N)(CO)CCCOc1c(OC)cccc1OC
InChIInChI=1S/C15H25NO4/c1-4-15(16,11-17)9-6-10-20-14-12(18-2)7-5-8-13(14)19-3/h5,7-8,17H,4,6,9-11,16H2,1-3H3
InChIKeyZMTAKLUAIMBARD-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.96
Rot. Bonds9

About 2-amino-5-(2,6-dimethoxyphenoxy)-2-ethylpentan-1-ol

2-amino-5-(2,6-dimethoxyphenoxy)-2-ethylpentan-1-ol (PubChem CID 106810424) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-amino-5-(2,6-dimethoxyphenoxy)-2-ethylpentan-1-ol.

Molecular Properties

Compound Name2-amino-5-(2,6-dimethoxyphenoxy)-2-ethylpentan-1-ol
PubChem CID106810424
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name2-amino-5-(2,6-dimethoxyphenoxy)-2-ethylpentan-1-ol
SMILESCCC(N)(CO)CCCOc1c(OC)cccc1OC
InChIInChI=1S/C15H25NO4/c1-4-15(16,11-17)9-6-10-20-14-12(18-2)7-5-8-13(14)19-3/h5,7-8,17H,4,6,9-11,16H2,1-3H3
InChIKeyZMTAKLUAIMBARD-UHFFFAOYSA-N
XLogP1.96
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2,6-dimethoxyphenoxy)-2-methylbutan-2-amine
CID 28917828
3-(2,6-dimethoxyphenoxy)propan-1-amine
CID 14025832
4-(2,6-dimethoxyphenoxy)-2-methyl-2-(propylamino)butan-1-ol
CID 64803042
2-amino-5-(4-tert-butyl-2-methylphenoxy)-2-ethylpentan-1-ol
CID 106810572
5-(2,3-dimethoxyphenoxy)-2,2-diethylpentan-1-amine
CID 82138594
4-(2,6-dimethoxyphenoxy)butanethioamide
CID 24696993
4-(2,6-dimethoxyphenoxy)-2,2-dimethylbutanethioamide
CID 65249307
5-(2,6-dimethoxyphenoxy)pentan-2-one
CID 43793515
4-(2,6-dimethoxyphenoxy)-N,N-dimethylbutan-1-amine
CID 2181134
2-dodecoxy-1-methoxy-3-propoxybenzene
CID 142743634
3-(2-iodo-6-methoxyphenoxy)propan-1-ol
CID 57496438
(3-methoxy-2-nonoxyphenyl)methanol
CID 43471510

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2,6-dimethoxyphenoxy)-2-ethylpentan-1-ol?
The IUPAC name of 2-amino-5-(2,6-dimethoxyphenoxy)-2-ethylpentan-1-ol (CID 106810424) is 2-amino-5-(2,6-dimethoxyphenoxy)-2-ethylpentan-1-ol.
What is the SMILES notation for 2-amino-5-(2,6-dimethoxyphenoxy)-2-ethylpentan-1-ol?
The canonical SMILES for 2-amino-5-(2,6-dimethoxyphenoxy)-2-ethylpentan-1-ol is CCC(N)(CO)CCCOc1c(OC)cccc1OC.
What is the InChIKey of 2-amino-5-(2,6-dimethoxyphenoxy)-2-ethylpentan-1-ol?
The InChIKey is ZMTAKLUAIMBARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-4-15(16,11-17)9-6-10-20-14-12(18-2)7-5-8-13(14)19-3/h5,7-8,17H,4,6,9-11,16H2,1-3H3.
What are the key properties of 2-amino-5-(2,6-dimethoxyphenoxy)-2-ethylpentan-1-ol?
2-amino-5-(2,6-dimethoxyphenoxy)-2-ethylpentan-1-ol has a molecular weight of 283.37 g/mol, XLogP of 1.96, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2,6-dimethoxyphenoxy)-2-ethylpentan-1-ol is sourced from PubChem (CID 106810424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).