2-(3,5-dimethylphenoxy)ethanamine;hydrochloride

C10H16ClNO — CID 2790509

IUPAC2-(3,5-dimethylphenoxy)ethanamine;hydrochloride
SMILESCc1cc(C)cc(OCCN)c1.Cl
InChIInChI=1S/C10H15NO.ClH/c1-8-5-9(2)7-10(6-8)12-4-3-11;/h5-7H,3-4,11H2,1-2H3;1H
InChIKeyGSRVMJWPWQIUEM-UHFFFAOYSA-N
MW201.70 g/mol
LogP2.06
Rot. Bonds3

About 2-(3,5-dimethylphenoxy)ethanamine;hydrochloride

2-(3,5-dimethylphenoxy)ethanamine;hydrochloride (PubChem CID 2790509) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)ethanamine;hydrochloride
PubChem CID2790509
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC Name2-(3,5-dimethylphenoxy)ethanamine;hydrochloride
SMILESCc1cc(C)cc(OCCN)c1.Cl
InChIInChI=1S/C10H15NO.ClH/c1-8-5-9(2)7-10(6-8)12-4-3-11;/h5-7H,3-4,11H2,1-2H3;1H
InChIKeyGSRVMJWPWQIUEM-UHFFFAOYSA-N
XLogP2.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)ethanamine;hydrochloride?
The IUPAC name of 2-(3,5-dimethylphenoxy)ethanamine;hydrochloride (CID 2790509) is 2-(3,5-dimethylphenoxy)ethanamine;hydrochloride.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)ethanamine;hydrochloride?
The canonical SMILES for 2-(3,5-dimethylphenoxy)ethanamine;hydrochloride is Cc1cc(C)cc(OCCN)c1.Cl.
What is the InChIKey of 2-(3,5-dimethylphenoxy)ethanamine;hydrochloride?
The InChIKey is GSRVMJWPWQIUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.ClH/c1-8-5-9(2)7-10(6-8)12-4-3-11;/h5-7H,3-4,11H2,1-2H3;1H.
What are the key properties of 2-(3,5-dimethylphenoxy)ethanamine;hydrochloride?
2-(3,5-dimethylphenoxy)ethanamine;hydrochloride has a molecular weight of 201.70 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)ethanamine;hydrochloride is sourced from PubChem (CID 2790509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).