2-(dimethylamino)-2-methyl-3-(4-morpholin-4-ylphenyl)propanal

C16H24N2O2 — CID 87090040

IUPAC2-(dimethylamino)-2-methyl-3-(4-morpholin-4-ylphenyl)propanal
SMILESCN(C)C(C)(C=O)Cc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C16H24N2O2/c1-16(13-19,17(2)3)12-14-4-6-15(7-5-14)18-8-10-20-11-9-18/h4-7,13H,8-12H2,1-3H3
InChIKeyKGOJRABAVUMPKS-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.58
Rot. Bonds5

About 2-(dimethylamino)-2-methyl-3-(4-morpholin-4-ylphenyl)propanal

2-(dimethylamino)-2-methyl-3-(4-morpholin-4-ylphenyl)propanal (PubChem CID 87090040) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(dimethylamino)-2-methyl-3-(4-morpholin-4-ylphenyl)propanal.

Molecular Properties

Compound Name2-(dimethylamino)-2-methyl-3-(4-morpholin-4-ylphenyl)propanal
PubChem CID87090040
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(dimethylamino)-2-methyl-3-(4-morpholin-4-ylphenyl)propanal
SMILESCN(C)C(C)(C=O)Cc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C16H24N2O2/c1-16(13-19,17(2)3)12-14-4-6-15(7-5-14)18-8-10-20-11-9-18/h4-7,13H,8-12H2,1-3H3
InChIKeyKGOJRABAVUMPKS-UHFFFAOYSA-N
XLogP1.58
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.58
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

3-(dimethylamino)-3-[(4-methylphenyl)methyl]-4-(4-morpholin-4-ylphenyl)butan-2-one
CID 66716078
4-(4-ethylphenyl)morpholine
CID 20576442
2-benzyl-N,N-dimethyl-1-(4-morpholin-4-ylphenyl)butan-2-amine;1,3,5-triazine
CID 66962333
2-amino-2-(4-morpholin-4-ylphenyl)butanal
CID 87089967
4-(4-prop-2-enylphenyl)morpholine
CID 70631563
3,3-dimethyl-4-[(4-morpholin-4-ylphenyl)methylamino]butan-1-ol
CID 103708001
N,N-dimethyl-4-morpholin-4-ylaniline
CID 11264229
(4-morpholin-4-ylphenyl)methanol
CID 2776456
2-benzyl-2-(dimethylamino)-3-(4-methylsulfanylphenyl)-1-(4-morpholin-4-ylphenyl)propan-1-one
CID 152691568
N,N-dimethyl-3-[(4-morpholin-4-ylphenyl)methylamino]propanamide
CID 60926491
N-[(4-morpholin-4-ylphenyl)methyl]but-2-yn-1-amine
CID 113342036
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrrolidine-1-sulfonamide
CID 134025746

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-methyl-3-(4-morpholin-4-ylphenyl)propanal?
The IUPAC name of 2-(dimethylamino)-2-methyl-3-(4-morpholin-4-ylphenyl)propanal (CID 87090040) is 2-(dimethylamino)-2-methyl-3-(4-morpholin-4-ylphenyl)propanal.
What is the SMILES notation for 2-(dimethylamino)-2-methyl-3-(4-morpholin-4-ylphenyl)propanal?
The canonical SMILES for 2-(dimethylamino)-2-methyl-3-(4-morpholin-4-ylphenyl)propanal is CN(C)C(C)(C=O)Cc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-(dimethylamino)-2-methyl-3-(4-morpholin-4-ylphenyl)propanal?
The InChIKey is KGOJRABAVUMPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(13-19,17(2)3)12-14-4-6-15(7-5-14)18-8-10-20-11-9-18/h4-7,13H,8-12H2,1-3H3.
What are the key properties of 2-(dimethylamino)-2-methyl-3-(4-morpholin-4-ylphenyl)propanal?
2-(dimethylamino)-2-methyl-3-(4-morpholin-4-ylphenyl)propanal has a molecular weight of 276.38 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-methyl-3-(4-morpholin-4-ylphenyl)propanal is sourced from PubChem (CID 87090040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).