1-(3,4-diethoxyphenyl)ethanamine;hydrochloride

C12H20ClNO2 — CID 2917742

IUPAC1-(3,4-diethoxyphenyl)ethanamine;hydrochloride
SMILESCCOc1ccc(C(C)N)cc1OCC.Cl
InChIInChI=1S/C12H19NO2.ClH/c1-4-14-11-7-6-10(9(3)13)8-12(11)15-5-2;/h6-9H,4-5,13H2,1-3H3;1H
InChIKeyHFADWGBSSMBOEB-UHFFFAOYSA-N
MW245.75 g/mol
LogP2.93
Rot. Bonds5

About 1-(3,4-diethoxyphenyl)ethanamine;hydrochloride

1-(3,4-diethoxyphenyl)ethanamine;hydrochloride (PubChem CID 2917742) has the molecular formula C12H20ClNO2 and a molecular weight of 245.75 g/mol. Its IUPAC name is 1-(3,4-diethoxyphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(3,4-diethoxyphenyl)ethanamine;hydrochloride
PubChem CID2917742
Molecular FormulaC12H20ClNO2
Molecular Weight245.75 g/mol
Exact Mass245.12
IUPAC Name1-(3,4-diethoxyphenyl)ethanamine;hydrochloride
SMILESCCOc1ccc(C(C)N)cc1OCC.Cl
InChIInChI=1S/C12H19NO2.ClH/c1-4-14-11-7-6-10(9(3)13)8-12(11)15-5-2;/h6-9H,4-5,13H2,1-3H3;1H
InChIKeyHFADWGBSSMBOEB-UHFFFAOYSA-N
XLogP2.93
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethoxyphenyl)ethanamine;hydrochloride?
The IUPAC name of 1-(3,4-diethoxyphenyl)ethanamine;hydrochloride (CID 2917742) is 1-(3,4-diethoxyphenyl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(3,4-diethoxyphenyl)ethanamine;hydrochloride?
The canonical SMILES for 1-(3,4-diethoxyphenyl)ethanamine;hydrochloride is CCOc1ccc(C(C)N)cc1OCC.Cl.
What is the InChIKey of 1-(3,4-diethoxyphenyl)ethanamine;hydrochloride?
The InChIKey is HFADWGBSSMBOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2.ClH/c1-4-14-11-7-6-10(9(3)13)8-12(11)15-5-2;/h6-9H,4-5,13H2,1-3H3;1H.
What are the key properties of 1-(3,4-diethoxyphenyl)ethanamine;hydrochloride?
1-(3,4-diethoxyphenyl)ethanamine;hydrochloride has a molecular weight of 245.75 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethoxyphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 2917742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).