1-[4-[(3-methoxy-5-nitrophenyl)methyl]morpholin-2-yl]ethanamine

C14H21N3O4 — CID 115315508

IUPAC1-[4-[(3-methoxy-5-nitrophenyl)methyl]morpholin-2-yl]ethanamine
SMILESCOc1cc(CN2CCOC(C(C)N)C2)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H21N3O4/c1-10(15)14-9-16(3-4-21-14)8-11-5-12(17(18)19)7-13(6-11)20-2/h5-7,10,14H,3-4,8-9,15H2,1-2H3
InChIKeyGUTFNENFWNGELO-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.15
Rot. Bonds5

About 1-[4-[(3-methoxy-5-nitrophenyl)methyl]morpholin-2-yl]ethanamine

1-[4-[(3-methoxy-5-nitrophenyl)methyl]morpholin-2-yl]ethanamine (PubChem CID 115315508) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-[4-[(3-methoxy-5-nitrophenyl)methyl]morpholin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-[(3-methoxy-5-nitrophenyl)methyl]morpholin-2-yl]ethanamine
PubChem CID115315508
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name1-[4-[(3-methoxy-5-nitrophenyl)methyl]morpholin-2-yl]ethanamine
SMILESCOc1cc(CN2CCOC(C(C)N)C2)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H21N3O4/c1-10(15)14-9-16(3-4-21-14)8-11-5-12(17(18)19)7-13(6-11)20-2/h5-7,10,14H,3-4,8-9,15H2,1-2H3
InChIKeyGUTFNENFWNGELO-UHFFFAOYSA-N
XLogP1.15
TPSA90.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
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

1-[4-[(4-nitrophenyl)methyl]morpholin-2-yl]ethanamine
CID 81491183
1-[(3-methoxy-5-nitrophenyl)methyl]azetidin-3-amine
CID 81154887
(3R)-1-[(3-methoxy-5-nitrophenyl)methyl]pyrrolidin-3-ol
CID 81166124
(3S)-1-[(3-methoxy-5-nitrophenyl)methyl]-3-methylpiperazine
CID 104977178
1-[4-[(2-nitrophenyl)methyl]morpholin-2-yl]ethanamine
CID 81490216
1-[4-[(4-chloro-2-nitrophenyl)methyl]morpholin-2-yl]ethanamine
CID 81491023
(1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethanamine
CID 95396414
1-[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]ethanamine
CID 81490139
1-[4-[(4-fluorophenyl)methyl]morpholin-2-yl]ethanamine
CID 81491103
[4-[(3-methoxy-5-nitrophenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81208170
1-[4-[(3-fluoro-4-methylphenyl)methyl]morpholin-2-yl]ethanamine
CID 113284985
1-[4-[(4-bromo-3-chlorophenyl)methyl]morpholin-2-yl]ethanamine
CID 114077089

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-methoxy-5-nitrophenyl)methyl]morpholin-2-yl]ethanamine?
The IUPAC name of 1-[4-[(3-methoxy-5-nitrophenyl)methyl]morpholin-2-yl]ethanamine (CID 115315508) is 1-[4-[(3-methoxy-5-nitrophenyl)methyl]morpholin-2-yl]ethanamine.
What is the SMILES notation for 1-[4-[(3-methoxy-5-nitrophenyl)methyl]morpholin-2-yl]ethanamine?
The canonical SMILES for 1-[4-[(3-methoxy-5-nitrophenyl)methyl]morpholin-2-yl]ethanamine is COc1cc(CN2CCOC(C(C)N)C2)cc([N+](=O)[O-])c1.
What is the InChIKey of 1-[4-[(3-methoxy-5-nitrophenyl)methyl]morpholin-2-yl]ethanamine?
The InChIKey is GUTFNENFWNGELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-10(15)14-9-16(3-4-21-14)8-11-5-12(17(18)19)7-13(6-11)20-2/h5-7,10,14H,3-4,8-9,15H2,1-2H3.
What are the key properties of 1-[4-[(3-methoxy-5-nitrophenyl)methyl]morpholin-2-yl]ethanamine?
1-[4-[(3-methoxy-5-nitrophenyl)methyl]morpholin-2-yl]ethanamine has a molecular weight of 295.34 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-methoxy-5-nitrophenyl)methyl]morpholin-2-yl]ethanamine is sourced from PubChem (CID 115315508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).