2-[4-[(hexylamino)methyl]phenoxy]ethanol;hydrochloride

C15H26ClNO2 — CID 17213255

IUPAC2-[4-[(hexylamino)methyl]phenoxy]ethanol;hydrochloride
SMILESCCCCCCNCc1ccc(OCCO)cc1.Cl
InChIInChI=1S/C15H25NO2.ClH/c1-2-3-4-5-10-16-13-14-6-8-15(9-7-14)18-12-11-17;/h6-9,16-17H,2-5,10-13H2,1H3;1H
InChIKeyUOXBHVIJRGLZPA-UHFFFAOYSA-N
MW287.83 g/mol
LogP3.15
Rot. Bonds10

About 2-[4-[(hexylamino)methyl]phenoxy]ethanol;hydrochloride

2-[4-[(hexylamino)methyl]phenoxy]ethanol;hydrochloride (PubChem CID 17213255) has the molecular formula C15H26ClNO2 and a molecular weight of 287.83 g/mol. Its IUPAC name is 2-[4-[(hexylamino)methyl]phenoxy]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[4-[(hexylamino)methyl]phenoxy]ethanol;hydrochloride
PubChem CID17213255
Molecular FormulaC15H26ClNO2
Molecular Weight287.83 g/mol
Exact Mass287.17
IUPAC Name2-[4-[(hexylamino)methyl]phenoxy]ethanol;hydrochloride
SMILESCCCCCCNCc1ccc(OCCO)cc1.Cl
InChIInChI=1S/C15H25NO2.ClH/c1-2-3-4-5-10-16-13-14-6-8-15(9-7-14)18-12-11-17;/h6-9,16-17H,2-5,10-13H2,1H3;1H
InChIKeyUOXBHVIJRGLZPA-UHFFFAOYSA-N
XLogP3.15
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 53.15
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

N-[(4-hexoxyphenyl)methyl]hexan-1-amine
CID 54807832
2-[4-(propylaminomethyl)phenoxy]ethanol
CID 17213252
2-[3-[(4-butoxyphenyl)methylamino]propoxy]ethanol
CID 103992724
N-[(4-ethoxyphenyl)methyl]hexan-1-amine;hydrochloride
CID 17291090
N-[[4-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine
CID 54797438
N-[(4-prop-2-enoxyphenyl)methyl]hexan-1-amine;hydrochloride
CID 17291144
N'-[(4-pentoxyphenyl)methyl]ethane-1,2-diamine
CID 60887585
5-[(4-butoxyphenyl)methylamino]pentanamide
CID 106233532
N-[(4-phenylmethoxyphenyl)methyl]octan-1-amine;hydrochloride
CID 17331183
N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]heptan-1-amine;hydrochloride
CID 17054378
N-[(4-prop-2-enoxyphenyl)methyl]hexadecan-1-amine
CID 54847664
N-[(4-butoxyphenyl)methyl]-4-methylsulfanylbutan-1-amine
CID 115639330

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(hexylamino)methyl]phenoxy]ethanol;hydrochloride?
The IUPAC name of 2-[4-[(hexylamino)methyl]phenoxy]ethanol;hydrochloride (CID 17213255) is 2-[4-[(hexylamino)methyl]phenoxy]ethanol;hydrochloride.
What is the SMILES notation for 2-[4-[(hexylamino)methyl]phenoxy]ethanol;hydrochloride?
The canonical SMILES for 2-[4-[(hexylamino)methyl]phenoxy]ethanol;hydrochloride is CCCCCCNCc1ccc(OCCO)cc1.Cl.
What is the InChIKey of 2-[4-[(hexylamino)methyl]phenoxy]ethanol;hydrochloride?
The InChIKey is UOXBHVIJRGLZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2.ClH/c1-2-3-4-5-10-16-13-14-6-8-15(9-7-14)18-12-11-17;/h6-9,16-17H,2-5,10-13H2,1H3;1H.
What are the key properties of 2-[4-[(hexylamino)methyl]phenoxy]ethanol;hydrochloride?
2-[4-[(hexylamino)methyl]phenoxy]ethanol;hydrochloride has a molecular weight of 287.83 g/mol, XLogP of 3.15, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(hexylamino)methyl]phenoxy]ethanol;hydrochloride is sourced from PubChem (CID 17213255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).