N-[[4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methyl]propan-1-amine

C18H30N2O — CID 102744838

IUPACN-[[4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(N2CC(C)(C)OC(C)(C)C2)cc1
InChIInChI=1S/C18H30N2O/c1-6-11-19-12-15-7-9-16(10-8-15)20-13-17(2,3)21-18(4,5)14-20/h7-10,19H,6,11-14H2,1-5H3
InChIKeyUVAAAVCAYQDGMM-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.58
Rot. Bonds5

About N-[[4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methyl]propan-1-amine

N-[[4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methyl]propan-1-amine (PubChem CID 102744838) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[[4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methyl]propan-1-amine
PubChem CID102744838
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[[4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(N2CC(C)(C)OC(C)(C)C2)cc1
InChIInChI=1S/C18H30N2O/c1-6-11-19-12-15-7-9-16(10-8-15)20-13-17(2,3)21-18(4,5)14-20/h7-10,19H,6,11-14H2,1-5H3
InChIKeyUVAAAVCAYQDGMM-UHFFFAOYSA-N
XLogP3.58
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(Morpholinomethyl)aniline
CID 776851
(4-Morpholin-4-ylbenzylidene)malononitrile
CID 321779
tert-butyl 4-(4-isopropylanilino)tetrahydro-1(2H)-pyridinecarboxylate
CID 2764198
(4-Methylbenzyl)(4-morpholin-4-ylphenyl)amine
CID 961186
N-(4-((morpholin-4-yl)methyl)phenyl)acetamide
CID 783020
(2-(Morpholin-4-yl)phenyl)methanamine
CID 2776563
Methyl(((4-(piperidin-1-yl)phenyl)methyl))amine
CID 7060582
N,N-dimethyl-4-{[(propan-2-yl)amino]methyl}aniline
CID 2774184
N,N-dimethyl-4-{[(4-methylphenyl)amino]methyl}aniline
CID 292407
4-(p-Tolyl)morpholine
CID 766255
4-(N-(P-Tolyl)carbamoyl)morpholine
CID 790704
4-Morpholinobenzylamine
CID 2776458

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methyl]propan-1-amine (CID 102744838) is N-[[4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methyl]propan-1-amine is CCCNCc1ccc(N2CC(C)(C)OC(C)(C)C2)cc1.
What is the InChIKey of N-[[4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methyl]propan-1-amine?
The InChIKey is UVAAAVCAYQDGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-6-11-19-12-15-7-9-16(10-8-15)20-13-17(2,3)21-18(4,5)14-20/h7-10,19H,6,11-14H2,1-5H3.
What are the key properties of N-[[4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methyl]propan-1-amine?
N-[[4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methyl]propan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 102744838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).