N-[[4-(2-ethylmorpholin-4-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine

C18H30N2O — CID 62121366

IUPACN-[[4-(2-ethylmorpholin-4-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine
SMILESCCC1CN(c2ccc(CNC(C)(C)C)cc2C)CCO1
InChIInChI=1S/C18H30N2O/c1-6-16-13-20(9-10-21-16)17-8-7-15(11-14(17)2)12-19-18(3,4)5/h7-8,11,16,19H,6,9-10,12-13H2,1-5H3
InChIKeyWPFYFXWBZAGEPO-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.50
Rot. Bonds4

About N-[[4-(2-ethylmorpholin-4-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine

N-[[4-(2-ethylmorpholin-4-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine (PubChem CID 62121366) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[[4-(2-ethylmorpholin-4-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-(2-ethylmorpholin-4-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine
PubChem CID62121366
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[[4-(2-ethylmorpholin-4-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine
SMILESCCC1CN(c2ccc(CNC(C)(C)C)cc2C)CCO1
InChIInChI=1S/C18H30N2O/c1-6-16-13-20(9-10-21-16)17-8-7-15(11-14(17)2)12-19-18(3,4)5/h7-8,11,16,19H,6,9-10,12-13H2,1-5H3
InChIKeyWPFYFXWBZAGEPO-UHFFFAOYSA-N
XLogP3.50
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[4-[(tert-butylamino)methyl]-2-methylphenyl]morpholin-2-yl]methanol
CID 81194556
2-methyl-N-[[3-methyl-4-(2-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine
CID 62120829
N-[[4-(2-ethylmorpholin-4-yl)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 81248808
2-methyl-N-[(3-methyl-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine
CID 62120126
N-[[4-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 64597182
1-[4-(2-ethylmorpholin-4-yl)phenyl]-N-methylmethanamine
CID 43562969
N-[[3-methyl-4-(2-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine
CID 55040210
2-methyl-N-[[3-methyl-4-(3-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine
CID 62120673
1-[4-[(tert-butylamino)methyl]-2-chlorophenyl]pyrrolidin-3-ol
CID 81148819
2-(2-ethylmorpholin-4-yl)-5-fluorobenzaldehyde
CID 43562829
2-[2-(2-ethylmorpholin-4-yl)-5-methylphenyl]ethanamine
CID 114055302
2-(2-ethylmorpholin-4-yl)aniline
CID 43562435

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-ethylmorpholin-4-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-(2-ethylmorpholin-4-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine (CID 62121366) is N-[[4-(2-ethylmorpholin-4-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-(2-ethylmorpholin-4-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-(2-ethylmorpholin-4-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine is CCC1CN(c2ccc(CNC(C)(C)C)cc2C)CCO1.
What is the InChIKey of N-[[4-(2-ethylmorpholin-4-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is WPFYFXWBZAGEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-6-16-13-20(9-10-21-16)17-8-7-15(11-14(17)2)12-19-18(3,4)5/h7-8,11,16,19H,6,9-10,12-13H2,1-5H3.
What are the key properties of N-[[4-(2-ethylmorpholin-4-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine?
N-[[4-(2-ethylmorpholin-4-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 290.45 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-ethylmorpholin-4-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62121366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).