5-[3-(propylaminomethyl)phenoxy]pentan-1-ol

C15H25NO2 — CID 62227082

IUPAC5-[3-(propylaminomethyl)phenoxy]pentan-1-ol
SMILESCCCNCc1cccc(OCCCCCO)c1
InChIInChI=1S/C15H25NO2/c1-2-9-16-13-14-7-6-8-15(12-14)18-11-5-3-4-10-17/h6-8,12,16-17H,2-5,9-11,13H2,1H3
InChIKeyAWOSKDVUBPSLFP-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.73
Rot. Bonds10

About 5-[3-(propylaminomethyl)phenoxy]pentan-1-ol

5-[3-(propylaminomethyl)phenoxy]pentan-1-ol (PubChem CID 62227082) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 5-[3-(propylaminomethyl)phenoxy]pentan-1-ol.

Molecular Properties

Compound Name5-[3-(propylaminomethyl)phenoxy]pentan-1-ol
PubChem CID62227082
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name5-[3-(propylaminomethyl)phenoxy]pentan-1-ol
SMILESCCCNCc1cccc(OCCCCCO)c1
InChIInChI=1S/C15H25NO2/c1-2-9-16-13-14-7-6-8-15(12-14)18-11-5-3-4-10-17/h6-8,12,16-17H,2-5,9-11,13H2,1H3
InChIKeyAWOSKDVUBPSLFP-UHFFFAOYSA-N
XLogP2.73
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-ethoxyphenyl)methylamino]pentan-1-ol
CID 17206726
N-[(3-pentoxyphenyl)methyl]hexadecan-1-amine
CID 54847860
6-[3-(methylaminomethyl)phenoxy]hexan-1-ol
CID 107702363
N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine
CID 39246100
5-(3-propylphenoxy)pentan-1-ol
CID 174619714
N-[(3-pent-4-ynoxyphenyl)methyl]propan-1-amine
CID 113374110
N-[(3-butoxyphenyl)methyl]ethanamine
CID 43278316
methyl 3-[3-(propylaminomethyl)phenoxy]propanoate
CID 63949501
5-(3-ethylphenoxy)-N-propylpentan-1-amine
CID 62449956
N-[[3-[2-[ethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine
CID 62419119
N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 62455235
N-[[3-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]propan-1-amine
CID 55074388

Frequently Asked Questions

What is the IUPAC name of 5-[3-(propylaminomethyl)phenoxy]pentan-1-ol?
The IUPAC name of 5-[3-(propylaminomethyl)phenoxy]pentan-1-ol (CID 62227082) is 5-[3-(propylaminomethyl)phenoxy]pentan-1-ol.
What is the SMILES notation for 5-[3-(propylaminomethyl)phenoxy]pentan-1-ol?
The canonical SMILES for 5-[3-(propylaminomethyl)phenoxy]pentan-1-ol is CCCNCc1cccc(OCCCCCO)c1.
What is the InChIKey of 5-[3-(propylaminomethyl)phenoxy]pentan-1-ol?
The InChIKey is AWOSKDVUBPSLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-2-9-16-13-14-7-6-8-15(12-14)18-11-5-3-4-10-17/h6-8,12,16-17H,2-5,9-11,13H2,1H3.
What are the key properties of 5-[3-(propylaminomethyl)phenoxy]pentan-1-ol?
5-[3-(propylaminomethyl)phenoxy]pentan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.73, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(propylaminomethyl)phenoxy]pentan-1-ol is sourced from PubChem (CID 62227082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).