2-(4-propoxyphenoxy)-N-propylbutan-1-amine

C16H27NO2 — CID 55076769

IUPAC2-(4-propoxyphenoxy)-N-propylbutan-1-amine
SMILESCCCNCC(CC)Oc1ccc(OCCC)cc1
InChIInChI=1S/C16H27NO2/c1-4-11-17-13-14(6-3)19-16-9-7-15(8-10-16)18-12-5-2/h7-10,14,17H,4-6,11-13H2,1-3H3
InChIKeyPJUHMWUEPXPPMK-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.63
Rot. Bonds10

About 2-(4-propoxyphenoxy)-N-propylbutan-1-amine

2-(4-propoxyphenoxy)-N-propylbutan-1-amine (PubChem CID 55076769) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(4-propoxyphenoxy)-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-(4-propoxyphenoxy)-N-propylbutan-1-amine
PubChem CID55076769
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-(4-propoxyphenoxy)-N-propylbutan-1-amine
SMILESCCCNCC(CC)Oc1ccc(OCCC)cc1
InChIInChI=1S/C16H27NO2/c1-4-11-17-13-14(6-3)19-16-9-7-15(8-10-16)18-12-5-2/h7-10,14,17H,4-6,11-13H2,1-3H3
InChIKeyPJUHMWUEPXPPMK-UHFFFAOYSA-N
XLogP3.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenoxy)-N-propylbutan-1-amine
CID 62454410
2-(4-propan-2-ylphenoxy)-N-propylbutan-1-amine
CID 62453124
2-(2-phenoxyethoxy)-N-propylbutan-1-amine
CID 62455802
1-butoxy-4-pentan-3-yloxybenzene
CID 90865394
3-methyl-N-[2-(4-propoxyphenoxy)propyl]butan-1-amine
CID 63517499
2-methyl-N-[3-(4-propoxyphenoxy)propyl]propan-1-amine
CID 62485131
2-(4-fluorophenoxy)-N-propylpentan-1-amine
CID 83045947
3-(4-propoxyphenoxy)pentanethioamide
CID 43368833
2-(1-ethylpyrazol-4-yl)oxy-N-propylbutan-1-amine
CID 116803250
1-propan-2-yloxy-4-propoxybenzene
CID 57276091
1-(2-bromoethoxy)-4-pentan-3-yloxybenzene
CID 15239123
3-(4-propoxyphenoxy)pentanimidamide
CID 43368840

Frequently Asked Questions

What is the IUPAC name of 2-(4-propoxyphenoxy)-N-propylbutan-1-amine?
The IUPAC name of 2-(4-propoxyphenoxy)-N-propylbutan-1-amine (CID 55076769) is 2-(4-propoxyphenoxy)-N-propylbutan-1-amine.
What is the SMILES notation for 2-(4-propoxyphenoxy)-N-propylbutan-1-amine?
The canonical SMILES for 2-(4-propoxyphenoxy)-N-propylbutan-1-amine is CCCNCC(CC)Oc1ccc(OCCC)cc1.
What is the InChIKey of 2-(4-propoxyphenoxy)-N-propylbutan-1-amine?
The InChIKey is PJUHMWUEPXPPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-11-17-13-14(6-3)19-16-9-7-15(8-10-16)18-12-5-2/h7-10,14,17H,4-6,11-13H2,1-3H3.
What are the key properties of 2-(4-propoxyphenoxy)-N-propylbutan-1-amine?
2-(4-propoxyphenoxy)-N-propylbutan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.63, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propoxyphenoxy)-N-propylbutan-1-amine is sourced from PubChem (CID 55076769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).