5-(2,6-dimethoxyphenoxy)-N-propylpentan-1-amine

C16H27NO3 — CID 62449814

IUPAC5-(2,6-dimethoxyphenoxy)-N-propylpentan-1-amine
SMILESCCCNCCCCCOc1c(OC)cccc1OC
InChIInChI=1S/C16H27NO3/c1-4-11-17-12-6-5-7-13-20-16-14(18-2)9-8-10-15(16)19-3/h8-10,17H,4-7,11-13H2,1-3H3
InChIKeyLMGONATYLFBTJJ-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.25
Rot. Bonds11

About 5-(2,6-dimethoxyphenoxy)-N-propylpentan-1-amine

5-(2,6-dimethoxyphenoxy)-N-propylpentan-1-amine (PubChem CID 62449814) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 5-(2,6-dimethoxyphenoxy)-N-propylpentan-1-amine.

Molecular Properties

Compound Name5-(2,6-dimethoxyphenoxy)-N-propylpentan-1-amine
PubChem CID62449814
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name5-(2,6-dimethoxyphenoxy)-N-propylpentan-1-amine
SMILESCCCNCCCCCOc1c(OC)cccc1OC
InChIInChI=1S/C16H27NO3/c1-4-11-17-12-6-5-7-13-20-16-14(18-2)9-8-10-15(16)19-3/h8-10,17H,4-7,11-13H2,1-3H3
InChIKeyLMGONATYLFBTJJ-UHFFFAOYSA-N
XLogP3.25
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.25
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

N-[(3-methoxy-2-octoxyphenyl)methyl]propan-1-amine
CID 54804925
N-[(2-hexoxy-3-methoxyphenyl)methyl]hexan-1-amine
CID 54805393
3-(2,6-dimethoxyphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62571933
N-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methoxypropan-1-amine
CID 62572083
4-(2,6-dimethoxyphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 62449812
2-dodecoxy-1-methoxy-3-propoxybenzene
CID 142743634
5-(4-methoxyphenoxy)-N-propylpentan-1-amine
CID 55077240
N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine
CID 54847674
N-[2-(2-methoxyphenoxy)ethyl]hexadecan-1-amine
CID 54796021
3-[(2-heptoxy-3-methoxyphenyl)methylamino]propan-1-ol
CID 54849124
5-(2,5-dibromo-4-methoxyphenoxy)-N-propylpentan-1-amine
CID 79403637
N-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]octan-1-amine
CID 54807521

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethoxyphenoxy)-N-propylpentan-1-amine?
The IUPAC name of 5-(2,6-dimethoxyphenoxy)-N-propylpentan-1-amine (CID 62449814) is 5-(2,6-dimethoxyphenoxy)-N-propylpentan-1-amine.
What is the SMILES notation for 5-(2,6-dimethoxyphenoxy)-N-propylpentan-1-amine?
The canonical SMILES for 5-(2,6-dimethoxyphenoxy)-N-propylpentan-1-amine is CCCNCCCCCOc1c(OC)cccc1OC.
What is the InChIKey of 5-(2,6-dimethoxyphenoxy)-N-propylpentan-1-amine?
The InChIKey is LMGONATYLFBTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-4-11-17-12-6-5-7-13-20-16-14(18-2)9-8-10-15(16)19-3/h8-10,17H,4-7,11-13H2,1-3H3.
What are the key properties of 5-(2,6-dimethoxyphenoxy)-N-propylpentan-1-amine?
5-(2,6-dimethoxyphenoxy)-N-propylpentan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 3.25, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethoxyphenoxy)-N-propylpentan-1-amine is sourced from PubChem (CID 62449814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).