1-(4-ethylmorpholin-2-yl)-N-[(4-prop-2-enoxyphenyl)methyl]methanamine

C17H26N2O2 — CID 115616594

IUPAC1-(4-ethylmorpholin-2-yl)-N-[(4-prop-2-enoxyphenyl)methyl]methanamine
SMILESC=CCOc1ccc(CNCC2CN(CC)CCO2)cc1
InChIInChI=1S/C17H26N2O2/c1-3-10-20-16-7-5-15(6-8-16)12-18-13-17-14-19(4-2)9-11-21-17/h3,5-8,17-18H,1,4,9-14H2,2H3
InChIKeyJISDNBQXCMXUJQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.06
Rot. Bonds8

About 1-(4-ethylmorpholin-2-yl)-N-[(4-prop-2-enoxyphenyl)methyl]methanamine

1-(4-ethylmorpholin-2-yl)-N-[(4-prop-2-enoxyphenyl)methyl]methanamine (PubChem CID 115616594) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(4-ethylmorpholin-2-yl)-N-[(4-prop-2-enoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-ethylmorpholin-2-yl)-N-[(4-prop-2-enoxyphenyl)methyl]methanamine
PubChem CID115616594
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(4-ethylmorpholin-2-yl)-N-[(4-prop-2-enoxyphenyl)methyl]methanamine
SMILESC=CCOc1ccc(CNCC2CN(CC)CCO2)cc1
InChIInChI=1S/C17H26N2O2/c1-3-10-20-16-7-5-15(6-8-16)12-18-13-17-14-19(4-2)9-11-21-17/h3,5-8,17-18H,1,4,9-14H2,2H3
InChIKeyJISDNBQXCMXUJQ-UHFFFAOYSA-N
XLogP2.06
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethylmorpholin-2-yl)-N-[[4-(methoxymethyl)phenyl]methyl]methanamine
CID 115653577
N-[[4-[(4-ethylmorpholin-2-yl)methoxy]phenyl]methyl]propan-1-amine
CID 79165728
4-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzoic acid
CID 114399651
N-[4-[[(4-ethylmorpholin-2-yl)methylamino]methyl]phenyl]acetamide
CID 115616524
1-(4-ethylmorpholin-2-yl)-N-[(4-nitrophenyl)methyl]methanamine
CID 78946835
1-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]piperidin-3-amine
CID 61171932
1-(4-ethylmorpholin-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]methanamine
CID 114399548
4-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-2-methoxyphenol
CID 114399658
1-(4-ethylmorpholin-2-yl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]methanamine
CID 115756743
1-(4-ethylmorpholin-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine
CID 114399661
1-(4-ethylmorpholin-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 114180316
1-[(2R)-4-ethylmorpholin-2-yl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine
CID 95328397

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylmorpholin-2-yl)-N-[(4-prop-2-enoxyphenyl)methyl]methanamine?
The IUPAC name of 1-(4-ethylmorpholin-2-yl)-N-[(4-prop-2-enoxyphenyl)methyl]methanamine (CID 115616594) is 1-(4-ethylmorpholin-2-yl)-N-[(4-prop-2-enoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-(4-ethylmorpholin-2-yl)-N-[(4-prop-2-enoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-(4-ethylmorpholin-2-yl)-N-[(4-prop-2-enoxyphenyl)methyl]methanamine is C=CCOc1ccc(CNCC2CN(CC)CCO2)cc1.
What is the InChIKey of 1-(4-ethylmorpholin-2-yl)-N-[(4-prop-2-enoxyphenyl)methyl]methanamine?
The InChIKey is JISDNBQXCMXUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-10-20-16-7-5-15(6-8-16)12-18-13-17-14-19(4-2)9-11-21-17/h3,5-8,17-18H,1,4,9-14H2,2H3.
What are the key properties of 1-(4-ethylmorpholin-2-yl)-N-[(4-prop-2-enoxyphenyl)methyl]methanamine?
1-(4-ethylmorpholin-2-yl)-N-[(4-prop-2-enoxyphenyl)methyl]methanamine has a molecular weight of 290.41 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylmorpholin-2-yl)-N-[(4-prop-2-enoxyphenyl)methyl]methanamine is sourced from PubChem (CID 115616594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).