N-ethyl-2-(4-ethylphenoxy)ethanamine;hydrochloride

C12H20ClNO — CID 75531601

IUPACN-ethyl-2-(4-ethylphenoxy)ethanamine;hydrochloride
SMILESCCNCCOc1ccc(CC)cc1.Cl
InChIInChI=1S/C12H19NO.ClH/c1-3-11-5-7-12(8-6-11)14-10-9-13-4-2;/h5-8,13H,3-4,9-10H2,1-2H3;1H
InChIKeyZUYGXYQDSVCDNA-UHFFFAOYSA-N
MW229.75 g/mol
LogP2.66
Rot. Bonds6

About N-ethyl-2-(4-ethylphenoxy)ethanamine;hydrochloride

N-ethyl-2-(4-ethylphenoxy)ethanamine;hydrochloride (PubChem CID 75531601) has the molecular formula C12H20ClNO and a molecular weight of 229.75 g/mol. Its IUPAC name is N-ethyl-2-(4-ethylphenoxy)ethanamine;hydrochloride.

Molecular Properties

Compound NameN-ethyl-2-(4-ethylphenoxy)ethanamine;hydrochloride
PubChem CID75531601
Molecular FormulaC12H20ClNO
Molecular Weight229.75 g/mol
Exact Mass229.12
IUPAC NameN-ethyl-2-(4-ethylphenoxy)ethanamine;hydrochloride
SMILESCCNCCOc1ccc(CC)cc1.Cl
InChIInChI=1S/C12H19NO.ClH/c1-3-11-5-7-12(8-6-11)14-10-9-13-4-2;/h5-8,13H,3-4,9-10H2,1-2H3;1H
InChIKeyZUYGXYQDSVCDNA-UHFFFAOYSA-N
XLogP2.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenoxy)-N-ethylethanamine;hydrochloride
CID 75531594
N-[2-(4-ethylphenoxy)ethyl]prop-2-yn-1-amine
CID 62571188
N-[2-(4-ethylphenoxy)ethyl]-3,3-dimethylbutan-1-amine
CID 62572737
N-[2-(4-ethylphenoxy)ethyl]hexan-1-amine
CID 55195709
1-[4-[2-(ethylamino)ethoxy]phenyl]butan-2-one
CID 167241747
N-ethyl-2-(4-fluorophenoxy)ethanamine;N-methylmethanamine
CID 22368875
N-[2-(4-propylphenoxy)ethyl]propan-1-amine
CID 62548210
2-[4-[2-(ethylamino)ethoxy]phenyl]-N-formylacetamide
CID 88991365
N-[2-(4-ethylphenoxy)ethyl]aniline
CID 54796136
N-ethyl-5-(4-propylphenoxy)pentan-1-amine
CID 62548075
N-[2-(4-ethylphenoxy)ethyl]butan-2-amine
CID 54802109
2-(4-ethylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62572739

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-ethylphenoxy)ethanamine;hydrochloride?
The IUPAC name of N-ethyl-2-(4-ethylphenoxy)ethanamine;hydrochloride (CID 75531601) is N-ethyl-2-(4-ethylphenoxy)ethanamine;hydrochloride.
What is the SMILES notation for N-ethyl-2-(4-ethylphenoxy)ethanamine;hydrochloride?
The canonical SMILES for N-ethyl-2-(4-ethylphenoxy)ethanamine;hydrochloride is CCNCCOc1ccc(CC)cc1.Cl.
What is the InChIKey of N-ethyl-2-(4-ethylphenoxy)ethanamine;hydrochloride?
The InChIKey is ZUYGXYQDSVCDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO.ClH/c1-3-11-5-7-12(8-6-11)14-10-9-13-4-2;/h5-8,13H,3-4,9-10H2,1-2H3;1H.
What are the key properties of N-ethyl-2-(4-ethylphenoxy)ethanamine;hydrochloride?
N-ethyl-2-(4-ethylphenoxy)ethanamine;hydrochloride has a molecular weight of 229.75 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-ethylphenoxy)ethanamine;hydrochloride is sourced from PubChem (CID 75531601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).