N-[(2-ethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride

C12H20ClNO2 — CID 6461026

IUPACN-[(2-ethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
SMILESCCOc1ccccc1CNCCOC.Cl
InChIInChI=1S/C12H19NO2.ClH/c1-3-15-12-7-5-4-6-11(12)10-13-8-9-14-2;/h4-7,13H,3,8-10H2,1-2H3;1H
InChIKeyBDNBOUPIDZOFKR-UHFFFAOYSA-N
MW245.75 g/mol
LogP2.24
Rot. Bonds7

About N-[(2-ethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride

N-[(2-ethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride (PubChem CID 6461026) has the molecular formula C12H20ClNO2 and a molecular weight of 245.75 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
PubChem CID6461026
Molecular FormulaC12H20ClNO2
Molecular Weight245.75 g/mol
Exact Mass245.12
IUPAC NameN-[(2-ethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
SMILESCCOc1ccccc1CNCCOC.Cl
InChIInChI=1S/C12H19NO2.ClH/c1-3-15-12-7-5-4-6-11(12)10-13-8-9-14-2;/h4-7,13H,3,8-10H2,1-2H3;1H
InChIKeyBDNBOUPIDZOFKR-UHFFFAOYSA-N
XLogP2.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride (CID 6461026) is N-[(2-ethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride is CCOc1ccccc1CNCCOC.Cl.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride?
The InChIKey is BDNBOUPIDZOFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2.ClH/c1-3-15-12-7-5-4-6-11(12)10-13-8-9-14-2;/h4-7,13H,3,8-10H2,1-2H3;1H.
What are the key properties of N-[(2-ethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride?
N-[(2-ethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride has a molecular weight of 245.75 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride is sourced from PubChem (CID 6461026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).