5-(2,3-dimethoxyphenoxy)-2,2-diethylpentan-1-amine

C17H29NO3 — CID 82138594

IUPAC5-(2,3-dimethoxyphenoxy)-2,2-diethylpentan-1-amine
SMILESCCC(CC)(CN)CCCOc1cccc(OC)c1OC
InChIInChI=1S/C17H29NO3/c1-5-17(6-2,13-18)11-8-12-21-15-10-7-9-14(19-3)16(15)20-4/h7,9-10H,5-6,8,11-13,18H2,1-4H3
InChIKeyYBPWHTVONGXQDD-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.63
Rot. Bonds10

About 5-(2,3-dimethoxyphenoxy)-2,2-diethylpentan-1-amine

5-(2,3-dimethoxyphenoxy)-2,2-diethylpentan-1-amine (PubChem CID 82138594) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 5-(2,3-dimethoxyphenoxy)-2,2-diethylpentan-1-amine.

Molecular Properties

Compound Name5-(2,3-dimethoxyphenoxy)-2,2-diethylpentan-1-amine
PubChem CID82138594
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name5-(2,3-dimethoxyphenoxy)-2,2-diethylpentan-1-amine
SMILESCCC(CC)(CN)CCCOc1cccc(OC)c1OC
InChIInChI=1S/C17H29NO3/c1-5-17(6-2,13-18)11-8-12-21-15-10-7-9-14(19-3)16(15)20-4/h7,9-10H,5-6,8,11-13,18H2,1-4H3
InChIKeyYBPWHTVONGXQDD-UHFFFAOYSA-N
XLogP3.63
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-diethyl-6-(2-methylphenoxy)hexan-1-amine
CID 82138560
2,2-diethyl-4-(2-methoxy-4-methylphenoxy)butan-1-amine
CID 82138621
2-amino-5-(2,6-dimethoxyphenoxy)-2-ethylpentan-1-ol
CID 106810424
3-(2,6-dimethoxyphenoxy)propan-1-amine
CID 14025832
[4-[(2,3-dimethoxyphenoxy)methyl]phenyl]methanamine
CID 22688697
1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666
2-dodecoxy-1-methoxy-3-propoxybenzene
CID 142743634
2-(aminomethyl)-2-[2-(2-methoxyphenoxy)ethyl]pentan-1-ol
CID 106506434
2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-amine
CID 113453864
2-[3-(2,3-dimethoxyphenoxy)propylamino]ethanol
CID 39260375
4-(2,6-dimethoxyphenoxy)-2-methylbutan-2-amine
CID 28917828
1-[3-(bromomethyl)-3-ethylpentoxy]-2-methoxybenzene
CID 66050017

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethoxyphenoxy)-2,2-diethylpentan-1-amine?
The IUPAC name of 5-(2,3-dimethoxyphenoxy)-2,2-diethylpentan-1-amine (CID 82138594) is 5-(2,3-dimethoxyphenoxy)-2,2-diethylpentan-1-amine.
What is the SMILES notation for 5-(2,3-dimethoxyphenoxy)-2,2-diethylpentan-1-amine?
The canonical SMILES for 5-(2,3-dimethoxyphenoxy)-2,2-diethylpentan-1-amine is CCC(CC)(CN)CCCOc1cccc(OC)c1OC.
What is the InChIKey of 5-(2,3-dimethoxyphenoxy)-2,2-diethylpentan-1-amine?
The InChIKey is YBPWHTVONGXQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-5-17(6-2,13-18)11-8-12-21-15-10-7-9-14(19-3)16(15)20-4/h7,9-10H,5-6,8,11-13,18H2,1-4H3.
What are the key properties of 5-(2,3-dimethoxyphenoxy)-2,2-diethylpentan-1-amine?
5-(2,3-dimethoxyphenoxy)-2,2-diethylpentan-1-amine has a molecular weight of 295.42 g/mol, XLogP of 3.63, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethoxyphenoxy)-2,2-diethylpentan-1-amine is sourced from PubChem (CID 82138594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).