2-(2-ethylphenoxy)-N-methylethanamine;hydrochloride

C11H18ClNO — CID 44665206

IUPAC2-(2-ethylphenoxy)-N-methylethanamine;hydrochloride
SMILESCCc1ccccc1OCCNC.Cl
InChIInChI=1S/C11H17NO.ClH/c1-3-10-6-4-5-7-11(10)13-9-8-12-2;/h4-7,12H,3,8-9H2,1-2H3;1H
InChIKeyPYUALXUZGWVFBJ-UHFFFAOYSA-N
MW215.72 g/mol
LogP2.27
Rot. Bonds5

About 2-(2-ethylphenoxy)-N-methylethanamine;hydrochloride

2-(2-ethylphenoxy)-N-methylethanamine;hydrochloride (PubChem CID 44665206) has the molecular formula C11H18ClNO and a molecular weight of 215.72 g/mol. Its IUPAC name is 2-(2-ethylphenoxy)-N-methylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2-ethylphenoxy)-N-methylethanamine;hydrochloride
PubChem CID44665206
Molecular FormulaC11H18ClNO
Molecular Weight215.72 g/mol
Exact Mass215.11
IUPAC Name2-(2-ethylphenoxy)-N-methylethanamine;hydrochloride
SMILESCCc1ccccc1OCCNC.Cl
InChIInChI=1S/C11H17NO.ClH/c1-3-10-6-4-5-7-11(10)13-9-8-12-2;/h4-7,12H,3,8-9H2,1-2H3;1H
InChIKeyPYUALXUZGWVFBJ-UHFFFAOYSA-N
XLogP2.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.72
LogP ≤ 52.27
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

5-(2-ethylphenoxy)-N-methylpentan-1-amine
CID 62486252
2-(2-benzylphenoxy)-N-methylethanamine
CID 12660328
N-[2-(2-ethylphenoxy)ethyl]propan-1-amine
CID 43364346
methyl 2-[2-[2-(methylamino)ethoxy]phenyl]acetate
CID 117054245
N-methyl-2-(2-methylphenoxy)ethanamine;hydrochloride
CID 17178031
2-(2-methoxyphenoxy)-N-methylethanamine;hydrochloride
CID 19749083
3-(2-ethylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 55093398
N-[2-(2-ethylphenoxy)ethyl]cyclopropanamine
CID 43364345
N-[2-(2-ethylphenoxy)ethyl]propanamide
CID 113099835
1-(2-chloroethoxy)-2-ethylbenzene
CID 43173826
1-(3-bromopropoxy)-2-ethylbenzene
CID 43364278
ethane;1-ethyl-2-(2-fluoroethoxy)benzene
CID 170716854

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenoxy)-N-methylethanamine;hydrochloride?
The IUPAC name of 2-(2-ethylphenoxy)-N-methylethanamine;hydrochloride (CID 44665206) is 2-(2-ethylphenoxy)-N-methylethanamine;hydrochloride.
What is the SMILES notation for 2-(2-ethylphenoxy)-N-methylethanamine;hydrochloride?
The canonical SMILES for 2-(2-ethylphenoxy)-N-methylethanamine;hydrochloride is CCc1ccccc1OCCNC.Cl.
What is the InChIKey of 2-(2-ethylphenoxy)-N-methylethanamine;hydrochloride?
The InChIKey is PYUALXUZGWVFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.ClH/c1-3-10-6-4-5-7-11(10)13-9-8-12-2;/h4-7,12H,3,8-9H2,1-2H3;1H.
What are the key properties of 2-(2-ethylphenoxy)-N-methylethanamine;hydrochloride?
2-(2-ethylphenoxy)-N-methylethanamine;hydrochloride has a molecular weight of 215.72 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenoxy)-N-methylethanamine;hydrochloride is sourced from PubChem (CID 44665206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).