2-(dimethylamino)-4-(4-morpholin-4-ylphenyl)-5-phenylpentanal

C23H30N2O2 — CID 87659120

IUPAC2-(dimethylamino)-4-(4-morpholin-4-ylphenyl)-5-phenylpentanal
SMILESCN(C)C(C=O)CC(Cc1ccccc1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H30N2O2/c1-24(2)23(18-26)17-21(16-19-6-4-3-5-7-19)20-8-10-22(11-9-20)25-12-14-27-15-13-25/h3-11,18,21,23H,12-17H2,1-2H3
InChIKeyHXYRNGZCWODBEL-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.37
Rot. Bonds8

About 2-(dimethylamino)-4-(4-morpholin-4-ylphenyl)-5-phenylpentanal

2-(dimethylamino)-4-(4-morpholin-4-ylphenyl)-5-phenylpentanal (PubChem CID 87659120) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-(dimethylamino)-4-(4-morpholin-4-ylphenyl)-5-phenylpentanal.

Molecular Properties

Compound Name2-(dimethylamino)-4-(4-morpholin-4-ylphenyl)-5-phenylpentanal
PubChem CID87659120
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name2-(dimethylamino)-4-(4-morpholin-4-ylphenyl)-5-phenylpentanal
SMILESCN(C)C(C=O)CC(Cc1ccccc1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H30N2O2/c1-24(2)23(18-26)17-21(16-19-6-4-3-5-7-19)20-8-10-22(11-9-20)25-12-14-27-15-13-25/h3-11,18,21,23H,12-17H2,1-2H3
InChIKeyHXYRNGZCWODBEL-UHFFFAOYSA-N
XLogP3.37
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-[4-(1-phenylpentan-2-yl)phenyl]morpholine
CID 174948400
2,6-bis(dimethylamino)-3,5-bis(4-morpholin-4-ylphenyl)-1,7-diphenylheptan-4-one
CID 175073819
2-benzylbutanal;2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)propan-1-one
CID 175047147
N,N-dimethyl-1-(4-morpholin-4-ylphenyl)-5-phenylpentan-2-amine
CID 69032943
2-ethyl-3-(4-morpholin-4-ylphenyl)-1,4-diphenylbutan-1-one
CID 175266354
4-(4-benzylphenyl)morpholine
CID 11514364
[1-(4-morpholin-4-ylphenyl)-3-oxopropan-2-yl] formate
CID 145192028
1-[ethyl(3-phenylpropyl)amino]-1-(4-morpholin-4-ylphenyl)propan-2-one
CID 155754250
2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)-5-phenylpentan-1-one
CID 57110605
2-benzyl-1-[2-(dimethylamino)-4-morpholin-4-ylphenyl]butan-1-one
CID 68649647
1-(4-morpholin-4-ylphenyl)propan-1-amine
CID 103693302
2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;1-(4-morpholin-4-ylphenyl)-2-phenylethanone
CID 90024820

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-(4-morpholin-4-ylphenyl)-5-phenylpentanal?
The IUPAC name of 2-(dimethylamino)-4-(4-morpholin-4-ylphenyl)-5-phenylpentanal (CID 87659120) is 2-(dimethylamino)-4-(4-morpholin-4-ylphenyl)-5-phenylpentanal.
What is the SMILES notation for 2-(dimethylamino)-4-(4-morpholin-4-ylphenyl)-5-phenylpentanal?
The canonical SMILES for 2-(dimethylamino)-4-(4-morpholin-4-ylphenyl)-5-phenylpentanal is CN(C)C(C=O)CC(Cc1ccccc1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-(dimethylamino)-4-(4-morpholin-4-ylphenyl)-5-phenylpentanal?
The InChIKey is HXYRNGZCWODBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-24(2)23(18-26)17-21(16-19-6-4-3-5-7-19)20-8-10-22(11-9-20)25-12-14-27-15-13-25/h3-11,18,21,23H,12-17H2,1-2H3.
What are the key properties of 2-(dimethylamino)-4-(4-morpholin-4-ylphenyl)-5-phenylpentanal?
2-(dimethylamino)-4-(4-morpholin-4-ylphenyl)-5-phenylpentanal has a molecular weight of 366.51 g/mol, XLogP of 3.37, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-(4-morpholin-4-ylphenyl)-5-phenylpentanal is sourced from PubChem (CID 87659120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).