[3-[(4-ethylmorpholin-2-yl)methoxy]-4-nitrophenyl]methanamine

C14H21N3O4 — CID 79163964

IUPAC[3-[(4-ethylmorpholin-2-yl)methoxy]-4-nitrophenyl]methanamine
SMILESCCN1CCOC(COc2cc(CN)ccc2[N+](=O)[O-])C1
InChIInChI=1S/C14H21N3O4/c1-2-16-5-6-20-12(9-16)10-21-14-7-11(8-15)3-4-13(14)17(18)19/h3-4,7,12H,2,5-6,8-10,15H2,1H3
InChIKeyIRZCHPHRDNTPEC-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.15
Rot. Bonds6

About [3-[(4-ethylmorpholin-2-yl)methoxy]-4-nitrophenyl]methanamine

[3-[(4-ethylmorpholin-2-yl)methoxy]-4-nitrophenyl]methanamine (PubChem CID 79163964) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is [3-[(4-ethylmorpholin-2-yl)methoxy]-4-nitrophenyl]methanamine.

Molecular Properties

Compound Name[3-[(4-ethylmorpholin-2-yl)methoxy]-4-nitrophenyl]methanamine
PubChem CID79163964
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name[3-[(4-ethylmorpholin-2-yl)methoxy]-4-nitrophenyl]methanamine
SMILESCCN1CCOC(COc2cc(CN)ccc2[N+](=O)[O-])C1
InChIInChI=1S/C14H21N3O4/c1-2-16-5-6-20-12(9-16)10-21-14-7-11(8-15)3-4-13(14)17(18)19/h3-4,7,12H,2,5-6,8-10,15H2,1H3
InChIKeyIRZCHPHRDNTPEC-UHFFFAOYSA-N
XLogP1.15
TPSA90.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

[3-[(4-ethylmorpholin-2-yl)methoxy]phenyl]methanamine
CID 79166497
2-[4-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorophenyl]ethanamine
CID 107692794
[2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]methanamine
CID 79166316
3-[(4-ethylmorpholin-2-yl)methoxy]-4-methylaniline
CID 79166695
2-[(2-ethoxyphenoxy)methyl]-4-[(4-nitrophenyl)methyl]morpholine
CID 11176211
4-ethyl-2-[(5-fluoro-2-methylphenoxy)methyl]morpholine
CID 102990646
[4-methoxy-3-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanamine
CID 79166947
5-bromo-2-[(4-ethylmorpholin-2-yl)methoxy]aniline
CID 79167033
2-[5-chloro-2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 79182378
4-[(2-ethylmorpholin-4-yl)methyl]-2-nitroaniline
CID 62182229
(2R)-2-[(2-bromophenoxy)methyl]-4-ethylmorpholine
CID 97154192
(2S)-2-[(2-bromophenoxy)methyl]-4-ethylmorpholine
CID 97154191

Frequently Asked Questions

What is the IUPAC name of [3-[(4-ethylmorpholin-2-yl)methoxy]-4-nitrophenyl]methanamine?
The IUPAC name of [3-[(4-ethylmorpholin-2-yl)methoxy]-4-nitrophenyl]methanamine (CID 79163964) is [3-[(4-ethylmorpholin-2-yl)methoxy]-4-nitrophenyl]methanamine.
What is the SMILES notation for [3-[(4-ethylmorpholin-2-yl)methoxy]-4-nitrophenyl]methanamine?
The canonical SMILES for [3-[(4-ethylmorpholin-2-yl)methoxy]-4-nitrophenyl]methanamine is CCN1CCOC(COc2cc(CN)ccc2[N+](=O)[O-])C1.
What is the InChIKey of [3-[(4-ethylmorpholin-2-yl)methoxy]-4-nitrophenyl]methanamine?
The InChIKey is IRZCHPHRDNTPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-2-16-5-6-20-12(9-16)10-21-14-7-11(8-15)3-4-13(14)17(18)19/h3-4,7,12H,2,5-6,8-10,15H2,1H3.
What are the key properties of [3-[(4-ethylmorpholin-2-yl)methoxy]-4-nitrophenyl]methanamine?
[3-[(4-ethylmorpholin-2-yl)methoxy]-4-nitrophenyl]methanamine has a molecular weight of 295.34 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-ethylmorpholin-2-yl)methoxy]-4-nitrophenyl]methanamine is sourced from PubChem (CID 79163964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).