N-[(4-ethylphenyl)methyl]-2-methoxyethanamine;hydrochloride

C12H20ClNO — CID 17295529

IUPACN-[(4-ethylphenyl)methyl]-2-methoxyethanamine;hydrochloride
SMILESCCc1ccc(CNCCOC)cc1.Cl
InChIInChI=1S/C12H19NO.ClH/c1-3-11-4-6-12(7-5-11)10-13-8-9-14-2;/h4-7,13H,3,8-10H2,1-2H3;1H
InChIKeyUQUZBXHLGNYEPJ-UHFFFAOYSA-N
MW229.75 g/mol
LogP2.41
Rot. Bonds6

About N-[(4-ethylphenyl)methyl]-2-methoxyethanamine;hydrochloride

N-[(4-ethylphenyl)methyl]-2-methoxyethanamine;hydrochloride (PubChem CID 17295529) has the molecular formula C12H20ClNO and a molecular weight of 229.75 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-2-methoxyethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-2-methoxyethanamine;hydrochloride
PubChem CID17295529
Molecular FormulaC12H20ClNO
Molecular Weight229.75 g/mol
Exact Mass229.12
IUPAC NameN-[(4-ethylphenyl)methyl]-2-methoxyethanamine;hydrochloride
SMILESCCc1ccc(CNCCOC)cc1.Cl
InChIInChI=1S/C12H19NO.ClH/c1-3-11-4-6-12(7-5-11)10-13-8-9-14-2;/h4-7,13H,3,8-10H2,1-2H3;1H
InChIKeyUQUZBXHLGNYEPJ-UHFFFAOYSA-N
XLogP2.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 52.41
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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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-2-methoxyethanamine;hydrochloride?
The IUPAC name of N-[(4-ethylphenyl)methyl]-2-methoxyethanamine;hydrochloride (CID 17295529) is N-[(4-ethylphenyl)methyl]-2-methoxyethanamine;hydrochloride.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-2-methoxyethanamine;hydrochloride?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-2-methoxyethanamine;hydrochloride is CCc1ccc(CNCCOC)cc1.Cl.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-2-methoxyethanamine;hydrochloride?
The InChIKey is UQUZBXHLGNYEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO.ClH/c1-3-11-4-6-12(7-5-11)10-13-8-9-14-2;/h4-7,13H,3,8-10H2,1-2H3;1H.
What are the key properties of N-[(4-ethylphenyl)methyl]-2-methoxyethanamine;hydrochloride?
N-[(4-ethylphenyl)methyl]-2-methoxyethanamine;hydrochloride has a molecular weight of 229.75 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-2-methoxyethanamine;hydrochloride is sourced from PubChem (CID 17295529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).