N-[(5-chloro-2-prop-2-enoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine

C17H25ClN2O2 — CID 2215419

IUPACN-[(5-chloro-2-prop-2-enoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESC=CCOc1ccc(Cl)cc1CNCCCN1CCOCC1
InChIInChI=1S/C17H25ClN2O2/c1-2-10-22-17-5-4-16(18)13-15(17)14-19-6-3-7-20-8-11-21-12-9-20/h2,4-5,13,19H,1,3,6-12,14H2
InChIKeyDFELPKDQYCAPPM-UHFFFAOYSA-N
MW324.85 g/mol
LogP2.72
Rot. Bonds9

About N-[(5-chloro-2-prop-2-enoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine

N-[(5-chloro-2-prop-2-enoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine (PubChem CID 2215419) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is N-[(5-chloro-2-prop-2-enoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-prop-2-enoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
PubChem CID2215419
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC NameN-[(5-chloro-2-prop-2-enoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESC=CCOc1ccc(Cl)cc1CNCCCN1CCOCC1
InChIInChI=1S/C17H25ClN2O2/c1-2-10-22-17-5-4-16(18)13-15(17)14-19-6-3-7-20-8-11-21-12-9-20/h2,4-5,13,19H,1,3,6-12,14H2
InChIKeyDFELPKDQYCAPPM-UHFFFAOYSA-N
XLogP2.72
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 52.72
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 N-[(5-chloro-2-prop-2-enoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[(5-chloro-2-prop-2-enoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine (CID 2215419) is N-[(5-chloro-2-prop-2-enoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[(5-chloro-2-prop-2-enoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[(5-chloro-2-prop-2-enoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine is C=CCOc1ccc(Cl)cc1CNCCCN1CCOCC1.
What is the InChIKey of N-[(5-chloro-2-prop-2-enoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine?
The InChIKey is DFELPKDQYCAPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-2-10-22-17-5-4-16(18)13-15(17)14-19-6-3-7-20-8-11-21-12-9-20/h2,4-5,13,19H,1,3,6-12,14H2.
What are the key properties of N-[(5-chloro-2-prop-2-enoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine?
N-[(5-chloro-2-prop-2-enoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine has a molecular weight of 324.85 g/mol, XLogP of 2.72, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-prop-2-enoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 2215419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).