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

C13H19N3O3 — CID 115315768

IUPAC1-[4-(2-methyl-4-nitrophenyl)morpholin-2-yl]ethanamine
SMILESCc1cc([N+](=O)[O-])ccc1N1CCOC(C(C)N)C1
InChIInChI=1S/C13H19N3O3/c1-9-7-11(16(17)18)3-4-12(9)15-5-6-19-13(8-15)10(2)14/h3-4,7,10,13H,5-6,8,14H2,1-2H3
InChIKeyREKARIRLGVCKLT-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.46
Rot. Bonds3

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

1-[4-(2-methyl-4-nitrophenyl)morpholin-2-yl]ethanamine (PubChem CID 115315768) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-[4-(2-methyl-4-nitrophenyl)morpholin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(2-methyl-4-nitrophenyl)morpholin-2-yl]ethanamine
PubChem CID115315768
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-[4-(2-methyl-4-nitrophenyl)morpholin-2-yl]ethanamine
SMILESCc1cc([N+](=O)[O-])ccc1N1CCOC(C(C)N)C1
InChIInChI=1S/C13H19N3O3/c1-9-7-11(16(17)18)3-4-12(9)15-5-6-19-13(8-15)10(2)14/h3-4,7,10,13H,5-6,8,14H2,1-2H3
InChIKeyREKARIRLGVCKLT-UHFFFAOYSA-N
XLogP1.46
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-iodo-4-nitrophenyl)morpholin-2-yl]ethanamine
CID 115315849
1-[4-(4-methyl-2-nitrophenyl)morpholin-2-yl]ethanamine
CID 115315864
1-[4-(4-fluoro-5-methyl-2-nitrophenyl)morpholin-2-yl]ethanamine
CID 103594251
1-[4-(2-methyl-6-nitrophenyl)morpholin-2-yl]ethanamine
CID 115553962
1-[4-[1-(3-nitrophenyl)ethyl]morpholin-2-yl]ethanamine
CID 81491606
1-[4-[(4-nitrophenyl)methyl]morpholin-2-yl]ethanamine
CID 81491183
(3R)-1-(2-methyl-4-nitrophenyl)pyrrolidin-3-ol
CID 58851852
2-(2-methylmorpholin-4-yl)-5-nitroaniline
CID 55080390
[4-[2-(difluoromethyl)-4-nitrophenyl]morpholin-2-yl]methanamine
CID 114399445
2-[2-(1-aminoethyl)morpholin-4-yl]benzonitrile
CID 113285117
N,N-dimethyl-1-(2-methyl-4-nitrophenyl)pyrrolidin-3-amine
CID 133328070
6,6-dimethyl-3-(2-methyl-4-nitrophenyl)-3-azabicyclo[3.1.0]hexane
CID 133341058

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methyl-4-nitrophenyl)morpholin-2-yl]ethanamine?
The IUPAC name of 1-[4-(2-methyl-4-nitrophenyl)morpholin-2-yl]ethanamine (CID 115315768) is 1-[4-(2-methyl-4-nitrophenyl)morpholin-2-yl]ethanamine.
What is the SMILES notation for 1-[4-(2-methyl-4-nitrophenyl)morpholin-2-yl]ethanamine?
The canonical SMILES for 1-[4-(2-methyl-4-nitrophenyl)morpholin-2-yl]ethanamine is Cc1cc([N+](=O)[O-])ccc1N1CCOC(C(C)N)C1.
What is the InChIKey of 1-[4-(2-methyl-4-nitrophenyl)morpholin-2-yl]ethanamine?
The InChIKey is REKARIRLGVCKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-7-11(16(17)18)3-4-12(9)15-5-6-19-13(8-15)10(2)14/h3-4,7,10,13H,5-6,8,14H2,1-2H3.
What are the key properties of 1-[4-(2-methyl-4-nitrophenyl)morpholin-2-yl]ethanamine?
1-[4-(2-methyl-4-nitrophenyl)morpholin-2-yl]ethanamine has a molecular weight of 265.31 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methyl-4-nitrophenyl)morpholin-2-yl]ethanamine is sourced from PubChem (CID 115315768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).