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

C14H21N3O3 — CID 78946835

IUPAC1-(4-ethylmorpholin-2-yl)-N-[(4-nitrophenyl)methyl]methanamine
SMILESCCN1CCOC(CNCc2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C14H21N3O3/c1-2-16-7-8-20-14(11-16)10-15-9-12-3-5-13(6-4-12)17(18)19/h3-6,14-15H,2,7-11H2,1H3
InChIKeyFHKGSYCNCVBXFM-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.41
Rot. Bonds6

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

1-(4-ethylmorpholin-2-yl)-N-[(4-nitrophenyl)methyl]methanamine (PubChem CID 78946835) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(4-ethylmorpholin-2-yl)-N-[(4-nitrophenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-ethylmorpholin-2-yl)-N-[(4-nitrophenyl)methyl]methanamine
PubChem CID78946835
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-(4-ethylmorpholin-2-yl)-N-[(4-nitrophenyl)methyl]methanamine
SMILESCCN1CCOC(CNCc2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C14H21N3O3/c1-2-16-7-8-20-14(11-16)10-15-9-12-3-5-13(6-4-12)17(18)19/h3-6,14-15H,2,7-11H2,1H3
InChIKeyFHKGSYCNCVBXFM-UHFFFAOYSA-N
XLogP1.41
TPSA67.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzoic acid
CID 114399651
1-(4-ethylmorpholin-2-yl)-N-[[4-(methoxymethyl)phenyl]methyl]methanamine
CID 115653577
N-[4-[[(4-ethylmorpholin-2-yl)methylamino]methyl]phenyl]acetamide
CID 115616524
1-(4-ethylmorpholin-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]methanamine
CID 114399548
1-(4-ethylmorpholin-2-yl)-N-[(4-prop-2-enoxyphenyl)methyl]methanamine
CID 115616594
[5-[[(4-ethylmorpholin-2-yl)methylamino]methyl]furan-2-yl]methanol
CID 115653583
3-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzoic acid
CID 103267262
1-(4-ethylmorpholin-2-yl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]methanamine
CID 115756743
1-ethyl-N-[(4-nitrophenyl)methyl]piperidin-3-amine
CID 61171344
4-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-2-methoxyphenol
CID 114399658
1-(1,3-dioxan-4-yl)-N-[(4-nitrophenyl)methyl]methanamine
CID 81101193
[4-[(4-nitrophenyl)methyl]morpholin-2-yl]methanol
CID 79833713

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylmorpholin-2-yl)-N-[(4-nitrophenyl)methyl]methanamine?
The IUPAC name of 1-(4-ethylmorpholin-2-yl)-N-[(4-nitrophenyl)methyl]methanamine (CID 78946835) is 1-(4-ethylmorpholin-2-yl)-N-[(4-nitrophenyl)methyl]methanamine.
What is the SMILES notation for 1-(4-ethylmorpholin-2-yl)-N-[(4-nitrophenyl)methyl]methanamine?
The canonical SMILES for 1-(4-ethylmorpholin-2-yl)-N-[(4-nitrophenyl)methyl]methanamine is CCN1CCOC(CNCc2ccc([N+](=O)[O-])cc2)C1.
What is the InChIKey of 1-(4-ethylmorpholin-2-yl)-N-[(4-nitrophenyl)methyl]methanamine?
The InChIKey is FHKGSYCNCVBXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-16-7-8-20-14(11-16)10-15-9-12-3-5-13(6-4-12)17(18)19/h3-6,14-15H,2,7-11H2,1H3.
What are the key properties of 1-(4-ethylmorpholin-2-yl)-N-[(4-nitrophenyl)methyl]methanamine?
1-(4-ethylmorpholin-2-yl)-N-[(4-nitrophenyl)methyl]methanamine has a molecular weight of 279.34 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylmorpholin-2-yl)-N-[(4-nitrophenyl)methyl]methanamine is sourced from PubChem (CID 78946835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).