2,6-dichloro-4-[(3-morpholin-4-ylpropylamino)methyl]benzaldehyde

C15H20Cl2N2O2 — CID 123206996

IUPAC2,6-dichloro-4-[(3-morpholin-4-ylpropylamino)methyl]benzaldehyde
SMILESO=Cc1c(Cl)cc(CNCCCN2CCOCC2)cc1Cl
InChIInChI=1S/C15H20Cl2N2O2/c16-14-8-12(9-15(17)13(14)11-20)10-18-2-1-3-19-4-6-21-7-5-19/h8-9,11,18H,1-7,10H2
InChIKeyLVTORBIHTJEHOQ-UHFFFAOYSA-N
MW331.24 g/mol
LogP2.62
Rot. Bonds7

About 2,6-dichloro-4-[(3-morpholin-4-ylpropylamino)methyl]benzaldehyde

2,6-dichloro-4-[(3-morpholin-4-ylpropylamino)methyl]benzaldehyde (PubChem CID 123206996) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is 2,6-dichloro-4-[(3-morpholin-4-ylpropylamino)methyl]benzaldehyde.

Molecular Properties

Compound Name2,6-dichloro-4-[(3-morpholin-4-ylpropylamino)methyl]benzaldehyde
PubChem CID123206996
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC Name2,6-dichloro-4-[(3-morpholin-4-ylpropylamino)methyl]benzaldehyde
SMILESO=Cc1c(Cl)cc(CNCCCN2CCOCC2)cc1Cl
InChIInChI=1S/C15H20Cl2N2O2/c16-14-8-12(9-15(17)13(14)11-20)10-18-2-1-3-19-4-6-21-7-5-19/h8-9,11,18H,1-7,10H2
InChIKeyLVTORBIHTJEHOQ-UHFFFAOYSA-N
XLogP2.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,5-dichloro-4-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 29241589
3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899046
N-[(4-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6457087
N-[(3-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 2991571
N-[(3-chloro-4-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 29241559
N-[(3,5-dichlorophenyl)methyl]-2-morpholin-4-ylethanamine
CID 54920179
N-[(2,5-dichlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 65316209
N-[(3,4-difluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 28672164
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 17159852
N-[(3-fluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 3152143
N-[(3-chloro-4-phenylmethoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 17159849
N-[(4-tert-butylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 3152140

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[(3-morpholin-4-ylpropylamino)methyl]benzaldehyde?
The IUPAC name of 2,6-dichloro-4-[(3-morpholin-4-ylpropylamino)methyl]benzaldehyde (CID 123206996) is 2,6-dichloro-4-[(3-morpholin-4-ylpropylamino)methyl]benzaldehyde.
What is the SMILES notation for 2,6-dichloro-4-[(3-morpholin-4-ylpropylamino)methyl]benzaldehyde?
The canonical SMILES for 2,6-dichloro-4-[(3-morpholin-4-ylpropylamino)methyl]benzaldehyde is O=Cc1c(Cl)cc(CNCCCN2CCOCC2)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-[(3-morpholin-4-ylpropylamino)methyl]benzaldehyde?
The InChIKey is LVTORBIHTJEHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2/c16-14-8-12(9-15(17)13(14)11-20)10-18-2-1-3-19-4-6-21-7-5-19/h8-9,11,18H,1-7,10H2.
What are the key properties of 2,6-dichloro-4-[(3-morpholin-4-ylpropylamino)methyl]benzaldehyde?
2,6-dichloro-4-[(3-morpholin-4-ylpropylamino)methyl]benzaldehyde has a molecular weight of 331.24 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[(3-morpholin-4-ylpropylamino)methyl]benzaldehyde is sourced from PubChem (CID 123206996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).