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

C17H27ClN2O2 — CID 11958776

IUPAC3-morpholin-4-yl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine;hydrochloride
SMILESC=CCOc1ccccc1CNCCCN1CCOCC1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-2-12-21-17-7-4-3-6-16(17)15-18-8-5-9-19-10-13-20-14-11-19;/h2-4,6-7,18H,1,5,8-15H2;1H
InChIKeyKYYRZQWIZKQQLO-UHFFFAOYSA-N
MW326.87 g/mol
LogP2.49
Rot. Bonds9

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

3-morpholin-4-yl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine;hydrochloride (PubChem CID 11958776) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-morpholin-4-yl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine;hydrochloride
PubChem CID11958776
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC Name3-morpholin-4-yl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine;hydrochloride
SMILESC=CCOc1ccccc1CNCCCN1CCOCC1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-2-12-21-17-7-4-3-6-16(17)15-18-8-5-9-19-10-13-20-14-11-19;/h2-4,6-7,18H,1,5,8-15H2;1H
InChIKeyKYYRZQWIZKQQLO-UHFFFAOYSA-N
XLogP2.49
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 52.49
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'}

Analyze 3-morpholin-4-yl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine;hydrochloride?
The IUPAC name of 3-morpholin-4-yl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine;hydrochloride (CID 11958776) is 3-morpholin-4-yl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine;hydrochloride.
What is the SMILES notation for 3-morpholin-4-yl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine;hydrochloride?
The canonical SMILES for 3-morpholin-4-yl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine;hydrochloride is C=CCOc1ccccc1CNCCCN1CCOCC1.Cl.
What is the InChIKey of 3-morpholin-4-yl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine;hydrochloride?
The InChIKey is KYYRZQWIZKQQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.ClH/c1-2-12-21-17-7-4-3-6-16(17)15-18-8-5-9-19-10-13-20-14-11-19;/h2-4,6-7,18H,1,5,8-15H2;1H.
What are the key properties of 3-morpholin-4-yl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine;hydrochloride?
3-morpholin-4-yl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 2.49, 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-enoxyphenyl)methyl]propan-1-amine;hydrochloride is sourced from PubChem (CID 11958776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).