2-[6-(2-phenylethylamino)hexylamino]ethanol

C16H28N2O — CID 22104030

IUPAC2-[6-(2-phenylethylamino)hexylamino]ethanol
SMILESOCCNCCCCCCNCCc1ccccc1
InChIInChI=1S/C16H28N2O/c19-15-14-18-12-7-2-1-6-11-17-13-10-16-8-4-3-5-9-16/h3-5,8-9,17-19H,1-2,6-7,10-15H2
InChIKeyJFVXAZZIBJUADT-UHFFFAOYSA-N
MW264.41 g/mol
LogP1.96
Rot. Bonds12

About 2-[6-(2-phenylethylamino)hexylamino]ethanol

2-[6-(2-phenylethylamino)hexylamino]ethanol (PubChem CID 22104030) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-[6-(2-phenylethylamino)hexylamino]ethanol.

Molecular Properties

Compound Name2-[6-(2-phenylethylamino)hexylamino]ethanol
PubChem CID22104030
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-[6-(2-phenylethylamino)hexylamino]ethanol
SMILESOCCNCCCCCCNCCc1ccccc1
InChIInChI=1S/C16H28N2O/c19-15-14-18-12-7-2-1-6-11-17-13-10-16-8-4-3-5-9-16/h3-5,8-9,17-19H,1-2,6-7,10-15H2
InChIKeyJFVXAZZIBJUADT-UHFFFAOYSA-N
XLogP1.96
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-phenylpropylamino)ethanol
CID 19012091
N,N'-bis(2-phenylethyl)octane-1,8-diamine;dihydrobromide
CID 3029610
N,N'-bis(2-phenylethyl)heptane-1,7-diamine;dihydrobromide
CID 3028511
5-(4-phenylbutylamino)pentan-1-ol
CID 107317257
N-(2-phenylethyl)undecan-1-amine
CID 141108004
3-phenyl-N-(2-phenylethyl)propan-1-amine;hydrochloride
CID 54603294
3-[2-(4-phenylphenyl)ethylamino]propan-1-ol
CID 115217026
5-[4-(benzylamino)butylamino]pentan-1-ol
CID 22006369
N-[2-(4-methylphenyl)ethyl]-5-phenylpentan-1-amine
CID 18790228
N'-[3-(2-phenylethylamino)propyl]propane-1,3-diamine
CID 57144095
N-butyl-N'-(2-phenylethyl)ethane-1,2-diamine
CID 54806957
5-(2-pyridin-4-ylethylamino)pentan-1-ol
CID 62228451

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-phenylethylamino)hexylamino]ethanol?
The IUPAC name of 2-[6-(2-phenylethylamino)hexylamino]ethanol (CID 22104030) is 2-[6-(2-phenylethylamino)hexylamino]ethanol.
What is the SMILES notation for 2-[6-(2-phenylethylamino)hexylamino]ethanol?
The canonical SMILES for 2-[6-(2-phenylethylamino)hexylamino]ethanol is OCCNCCCCCCNCCc1ccccc1.
What is the InChIKey of 2-[6-(2-phenylethylamino)hexylamino]ethanol?
The InChIKey is JFVXAZZIBJUADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c19-15-14-18-12-7-2-1-6-11-17-13-10-16-8-4-3-5-9-16/h3-5,8-9,17-19H,1-2,6-7,10-15H2.
What are the key properties of 2-[6-(2-phenylethylamino)hexylamino]ethanol?
2-[6-(2-phenylethylamino)hexylamino]ethanol has a molecular weight of 264.41 g/mol, XLogP of 1.96, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-phenylethylamino)hexylamino]ethanol is sourced from PubChem (CID 22104030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).