5-[2-(ethylaminomethyl)-4-methylphenoxy]pentan-1-ol

C15H25NO2 — CID 55204167

IUPAC5-[2-(ethylaminomethyl)-4-methylphenoxy]pentan-1-ol
SMILESCCNCc1cc(C)ccc1OCCCCCO
InChIInChI=1S/C15H25NO2/c1-3-16-12-14-11-13(2)7-8-15(14)18-10-6-4-5-9-17/h7-8,11,16-17H,3-6,9-10,12H2,1-2H3
InChIKeyNSWJZHDVVUKOMV-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.65
Rot. Bonds9

About 5-[2-(ethylaminomethyl)-4-methylphenoxy]pentan-1-ol

5-[2-(ethylaminomethyl)-4-methylphenoxy]pentan-1-ol (PubChem CID 55204167) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 5-[2-(ethylaminomethyl)-4-methylphenoxy]pentan-1-ol.

Molecular Properties

Compound Name5-[2-(ethylaminomethyl)-4-methylphenoxy]pentan-1-ol
PubChem CID55204167
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name5-[2-(ethylaminomethyl)-4-methylphenoxy]pentan-1-ol
SMILESCCNCc1cc(C)ccc1OCCCCCO
InChIInChI=1S/C15H25NO2/c1-3-16-12-14-11-13(2)7-8-15(14)18-10-6-4-5-9-17/h7-8,11,16-17H,3-6,9-10,12H2,1-2H3
InChIKeyNSWJZHDVVUKOMV-UHFFFAOYSA-N
XLogP2.65
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.65
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

4-[2-[(tert-butylamino)methyl]-4-methylphenoxy]butan-1-ol
CID 63326937
N-[[2-(2-butoxyethoxy)-5-methylphenyl]methyl]ethanamine
CID 63323068
N-[[5-methyl-2-(4,4,4-trifluorobutoxy)phenyl]methyl]ethanamine
CID 115513238
4-[2-(ethylaminomethyl)-4-methylphenoxy]-2-methylbutan-2-ol
CID 79360568
6-[2-(ethylaminomethyl)-4-methylphenoxy]-2,2-dimethylhexanenitrile
CID 106708824
5-[4-bromo-2-(propylaminomethyl)phenoxy]pentan-1-ol
CID 62228969
6-[4-bromo-2-(propylaminomethyl)phenoxy]hexan-1-ol
CID 107702343
N-[[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine
CID 63323168
N-[(5-methyl-2-propoxyphenyl)methyl]butan-1-amine
CID 97179196
2-[2-(ethylaminomethyl)-4-methylphenoxy]acetonitrile
CID 63323548
N-methyl-1-(5-methyl-2-pentoxyphenyl)methanamine
CID 63323494
N-[[2-(2-fluoroethoxy)-5-methylphenyl]methyl]propan-1-amine
CID 80699310

Frequently Asked Questions

What is the IUPAC name of 5-[2-(ethylaminomethyl)-4-methylphenoxy]pentan-1-ol?
The IUPAC name of 5-[2-(ethylaminomethyl)-4-methylphenoxy]pentan-1-ol (CID 55204167) is 5-[2-(ethylaminomethyl)-4-methylphenoxy]pentan-1-ol.
What is the SMILES notation for 5-[2-(ethylaminomethyl)-4-methylphenoxy]pentan-1-ol?
The canonical SMILES for 5-[2-(ethylaminomethyl)-4-methylphenoxy]pentan-1-ol is CCNCc1cc(C)ccc1OCCCCCO.
What is the InChIKey of 5-[2-(ethylaminomethyl)-4-methylphenoxy]pentan-1-ol?
The InChIKey is NSWJZHDVVUKOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-3-16-12-14-11-13(2)7-8-15(14)18-10-6-4-5-9-17/h7-8,11,16-17H,3-6,9-10,12H2,1-2H3.
What are the key properties of 5-[2-(ethylaminomethyl)-4-methylphenoxy]pentan-1-ol?
5-[2-(ethylaminomethyl)-4-methylphenoxy]pentan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.65, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(ethylaminomethyl)-4-methylphenoxy]pentan-1-ol is sourced from PubChem (CID 55204167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).