2-(3-ethoxyphenyl)ethanamine;hydrochloride

C10H16ClNO — CID 73012212

IUPAC2-(3-ethoxyphenyl)ethanamine;hydrochloride
SMILESCCOc1cccc(CCN)c1.Cl
InChIInChI=1S/C10H15NO.ClH/c1-2-12-10-5-3-4-9(8-10)6-7-11;/h3-5,8H,2,6-7,11H2,1H3;1H
InChIKeyLQUBONULNDGOPW-UHFFFAOYSA-N
MW201.70 g/mol
LogP2.01
Rot. Bonds4

About 2-(3-ethoxyphenyl)ethanamine;hydrochloride

2-(3-ethoxyphenyl)ethanamine;hydrochloride (PubChem CID 73012212) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is 2-(3-ethoxyphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(3-ethoxyphenyl)ethanamine;hydrochloride
PubChem CID73012212
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC Name2-(3-ethoxyphenyl)ethanamine;hydrochloride
SMILESCCOc1cccc(CCN)c1.Cl
InChIInChI=1S/C10H15NO.ClH/c1-2-12-10-5-3-4-9(8-10)6-7-11;/h3-5,8H,2,6-7,11H2,1H3;1H
InChIKeyLQUBONULNDGOPW-UHFFFAOYSA-N
XLogP2.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenyl)ethanamine;hydrochloride?
The IUPAC name of 2-(3-ethoxyphenyl)ethanamine;hydrochloride (CID 73012212) is 2-(3-ethoxyphenyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(3-ethoxyphenyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(3-ethoxyphenyl)ethanamine;hydrochloride is CCOc1cccc(CCN)c1.Cl.
What is the InChIKey of 2-(3-ethoxyphenyl)ethanamine;hydrochloride?
The InChIKey is LQUBONULNDGOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.ClH/c1-2-12-10-5-3-4-9(8-10)6-7-11;/h3-5,8H,2,6-7,11H2,1H3;1H.
What are the key properties of 2-(3-ethoxyphenyl)ethanamine;hydrochloride?
2-(3-ethoxyphenyl)ethanamine;hydrochloride has a molecular weight of 201.70 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 73012212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).