3-morpholin-4-yl-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]propan-1-amine;hydrochloride

C21H29ClN2O2 — CID 11958702

IUPAC3-morpholin-4-yl-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]propan-1-amine;hydrochloride
SMILESC=CCOc1ccc2ccccc2c1CNCCCN1CCOCC1.Cl
InChIInChI=1S/C21H28N2O2.ClH/c1-2-14-25-21-9-8-18-6-3-4-7-19(18)20(21)17-22-10-5-11-23-12-15-24-16-13-23;/h2-4,6-9,22H,1,5,10-17H2;1H
InChIKeyDVBWUYOJYVSDBA-UHFFFAOYSA-N
MW376.93 g/mol
LogP3.64
Rot. Bonds9

About 3-morpholin-4-yl-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]propan-1-amine;hydrochloride

3-morpholin-4-yl-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]propan-1-amine;hydrochloride (PubChem CID 11958702) has the molecular formula C21H29ClN2O2 and a molecular weight of 376.93 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-morpholin-4-yl-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]propan-1-amine;hydrochloride
PubChem CID11958702
Molecular FormulaC21H29ClN2O2
Molecular Weight376.93 g/mol
Exact Mass376.19
IUPAC Name3-morpholin-4-yl-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]propan-1-amine;hydrochloride
SMILESC=CCOc1ccc2ccccc2c1CNCCCN1CCOCC1.Cl
InChIInChI=1S/C21H28N2O2.ClH/c1-2-14-25-21-9-8-18-6-3-4-7-19(18)20(21)17-22-10-5-11-23-12-15-24-16-13-23;/h2-4,6-9,22H,1,5,10-17H2;1H
InChIKeyDVBWUYOJYVSDBA-UHFFFAOYSA-N
XLogP3.64
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.93
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]propan-1-amine;hydrochloride?
The IUPAC name of 3-morpholin-4-yl-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]propan-1-amine;hydrochloride (CID 11958702) is 3-morpholin-4-yl-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]propan-1-amine;hydrochloride.
What is the SMILES notation for 3-morpholin-4-yl-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]propan-1-amine;hydrochloride?
The canonical SMILES for 3-morpholin-4-yl-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]propan-1-amine;hydrochloride is C=CCOc1ccc2ccccc2c1CNCCCN1CCOCC1.Cl.
What is the InChIKey of 3-morpholin-4-yl-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]propan-1-amine;hydrochloride?
The InChIKey is DVBWUYOJYVSDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2.ClH/c1-2-14-25-21-9-8-18-6-3-4-7-19(18)20(21)17-22-10-5-11-23-12-15-24-16-13-23;/h2-4,6-9,22H,1,5,10-17H2;1H.
What are the key properties of 3-morpholin-4-yl-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]propan-1-amine;hydrochloride?
3-morpholin-4-yl-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]propan-1-amine;hydrochloride has a molecular weight of 376.93 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]propan-1-amine;hydrochloride is sourced from PubChem (CID 11958702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).