6-(2-ethoxyphenoxy)hexan-1-amine;hydrochloride

C14H24ClNO2 — CID 164512453

IUPAC6-(2-ethoxyphenoxy)hexan-1-amine;hydrochloride
SMILESCCOc1ccccc1OCCCCCCN.Cl
InChIInChI=1S/C14H23NO2.ClH/c1-2-16-13-9-5-6-10-14(13)17-12-8-4-3-7-11-15;/h5-6,9-10H,2-4,7-8,11-12,15H2,1H3;1H
InChIKeyJRRGYQPZMNJOQK-UHFFFAOYSA-N
MW273.80 g/mol
LogP3.40
Rot. Bonds9

About 6-(2-ethoxyphenoxy)hexan-1-amine;hydrochloride

6-(2-ethoxyphenoxy)hexan-1-amine;hydrochloride (PubChem CID 164512453) has the molecular formula C14H24ClNO2 and a molecular weight of 273.80 g/mol. Its IUPAC name is 6-(2-ethoxyphenoxy)hexan-1-amine;hydrochloride.

Molecular Properties

Compound Name6-(2-ethoxyphenoxy)hexan-1-amine;hydrochloride
PubChem CID164512453
Molecular FormulaC14H24ClNO2
Molecular Weight273.80 g/mol
Exact Mass273.15
IUPAC Name6-(2-ethoxyphenoxy)hexan-1-amine;hydrochloride
SMILESCCOc1ccccc1OCCCCCCN.Cl
InChIInChI=1S/C14H23NO2.ClH/c1-2-16-13-9-5-6-10-14(13)17-12-8-4-3-7-11-15;/h5-6,9-10H,2-4,7-8,11-12,15H2,1H3;1H
InChIKeyJRRGYQPZMNJOQK-UHFFFAOYSA-N
XLogP3.40
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.80
LogP ≤ 53.40
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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxyphenoxy)hexan-1-amine;hydrochloride?
The IUPAC name of 6-(2-ethoxyphenoxy)hexan-1-amine;hydrochloride (CID 164512453) is 6-(2-ethoxyphenoxy)hexan-1-amine;hydrochloride.
What is the SMILES notation for 6-(2-ethoxyphenoxy)hexan-1-amine;hydrochloride?
The canonical SMILES for 6-(2-ethoxyphenoxy)hexan-1-amine;hydrochloride is CCOc1ccccc1OCCCCCCN.Cl.
What is the InChIKey of 6-(2-ethoxyphenoxy)hexan-1-amine;hydrochloride?
The InChIKey is JRRGYQPZMNJOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2.ClH/c1-2-16-13-9-5-6-10-14(13)17-12-8-4-3-7-11-15;/h5-6,9-10H,2-4,7-8,11-12,15H2,1H3;1H.
What are the key properties of 6-(2-ethoxyphenoxy)hexan-1-amine;hydrochloride?
6-(2-ethoxyphenoxy)hexan-1-amine;hydrochloride has a molecular weight of 273.80 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxyphenoxy)hexan-1-amine;hydrochloride is sourced from PubChem (CID 164512453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).