N-[(2-ethoxynaphthalen-1-yl)methyl]-2-morpholin-4-ylethanamine;hydrochloride

C19H27ClN2O2 — CID 6603331

IUPACN-[(2-ethoxynaphthalen-1-yl)methyl]-2-morpholin-4-ylethanamine;hydrochloride
SMILESCCOc1ccc2ccccc2c1CNCCN1CCOCC1.Cl
InChIInChI=1S/C19H26N2O2.ClH/c1-2-23-19-8-7-16-5-3-4-6-17(16)18(19)15-20-9-10-21-11-13-22-14-12-21;/h3-8,20H,2,9-15H2,1H3;1H
InChIKeyZPDNCPIDWQNFLM-UHFFFAOYSA-N
MW350.89 g/mol
LogP3.08
Rot. Bonds7

About N-[(2-ethoxynaphthalen-1-yl)methyl]-2-morpholin-4-ylethanamine;hydrochloride

N-[(2-ethoxynaphthalen-1-yl)methyl]-2-morpholin-4-ylethanamine;hydrochloride (PubChem CID 6603331) has the molecular formula C19H27ClN2O2 and a molecular weight of 350.89 g/mol. Its IUPAC name is N-[(2-ethoxynaphthalen-1-yl)methyl]-2-morpholin-4-ylethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(2-ethoxynaphthalen-1-yl)methyl]-2-morpholin-4-ylethanamine;hydrochloride
PubChem CID6603331
Molecular FormulaC19H27ClN2O2
Molecular Weight350.89 g/mol
Exact Mass350.18
IUPAC NameN-[(2-ethoxynaphthalen-1-yl)methyl]-2-morpholin-4-ylethanamine;hydrochloride
SMILESCCOc1ccc2ccccc2c1CNCCN1CCOCC1.Cl
InChIInChI=1S/C19H26N2O2.ClH/c1-2-23-19-8-7-16-5-3-4-6-17(16)18(19)15-20-9-10-21-11-13-22-14-12-21;/h3-8,20H,2,9-15H2,1H3;1H
InChIKeyZPDNCPIDWQNFLM-UHFFFAOYSA-N
XLogP3.08
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethoxynaphthalen-1-yl)methyl]-2-morpholin-4-ylethanamine;hydrochloride?
The IUPAC name of N-[(2-ethoxynaphthalen-1-yl)methyl]-2-morpholin-4-ylethanamine;hydrochloride (CID 6603331) is N-[(2-ethoxynaphthalen-1-yl)methyl]-2-morpholin-4-ylethanamine;hydrochloride.
What is the SMILES notation for N-[(2-ethoxynaphthalen-1-yl)methyl]-2-morpholin-4-ylethanamine;hydrochloride?
The canonical SMILES for N-[(2-ethoxynaphthalen-1-yl)methyl]-2-morpholin-4-ylethanamine;hydrochloride is CCOc1ccc2ccccc2c1CNCCN1CCOCC1.Cl.
What is the InChIKey of N-[(2-ethoxynaphthalen-1-yl)methyl]-2-morpholin-4-ylethanamine;hydrochloride?
The InChIKey is ZPDNCPIDWQNFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2.ClH/c1-2-23-19-8-7-16-5-3-4-6-17(16)18(19)15-20-9-10-21-11-13-22-14-12-21;/h3-8,20H,2,9-15H2,1H3;1H.
What are the key properties of N-[(2-ethoxynaphthalen-1-yl)methyl]-2-morpholin-4-ylethanamine;hydrochloride?
N-[(2-ethoxynaphthalen-1-yl)methyl]-2-morpholin-4-ylethanamine;hydrochloride has a molecular weight of 350.89 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxynaphthalen-1-yl)methyl]-2-morpholin-4-ylethanamine;hydrochloride is sourced from PubChem (CID 6603331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).