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

C13H19N3O3 — CID 81490216

IUPAC1-[4-[(2-nitrophenyl)methyl]morpholin-2-yl]ethanamine
SMILESCC(N)C1CN(Cc2ccccc2[N+](=O)[O-])CCO1
InChIInChI=1S/C13H19N3O3/c1-10(14)13-9-15(6-7-19-13)8-11-4-2-3-5-12(11)16(17)18/h2-5,10,13H,6-9,14H2,1H3
InChIKeyBCDDKKYXOYSAFT-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.14
Rot. Bonds4

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

1-[4-[(2-nitrophenyl)methyl]morpholin-2-yl]ethanamine (PubChem CID 81490216) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-[4-[(2-nitrophenyl)methyl]morpholin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-[(2-nitrophenyl)methyl]morpholin-2-yl]ethanamine
PubChem CID81490216
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-[4-[(2-nitrophenyl)methyl]morpholin-2-yl]ethanamine
SMILESCC(N)C1CN(Cc2ccccc2[N+](=O)[O-])CCO1
InChIInChI=1S/C13H19N3O3/c1-10(14)13-9-15(6-7-19-13)8-11-4-2-3-5-12(11)16(17)18/h2-5,10,13H,6-9,14H2,1H3
InChIKeyBCDDKKYXOYSAFT-UHFFFAOYSA-N
XLogP1.14
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.14
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

1-[4-[(4-chloro-2-nitrophenyl)methyl]morpholin-2-yl]ethanamine
CID 81491023
1-[4-[(4-nitrophenyl)methyl]morpholin-2-yl]ethanamine
CID 81491183
[2-(1-aminoethyl)morpholin-4-yl]-(2-nitrophenyl)methanone
CID 81484249
1-[4-(2-methyl-6-nitrophenyl)morpholin-2-yl]ethanamine
CID 115553962
(3R)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905304
1-[4-(quinolin-4-ylmethyl)morpholin-2-yl]ethanamine
CID 115314848
1-[4-[(3-methoxy-5-nitrophenyl)methyl]morpholin-2-yl]ethanamine
CID 115315508
(3R)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-ol
CID 56790457
3-methyl-1-[(2-nitrophenyl)methyl]piperidin-4-one
CID 114500416
N-methyl-1-[(2-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905707
1-[(2-nitrophenyl)methyl]piperidin-4-amine
CID 29009713
1-[4-(4-methyl-2-nitrophenyl)morpholin-2-yl]ethanamine
CID 115315864

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-nitrophenyl)methyl]morpholin-2-yl]ethanamine?
The IUPAC name of 1-[4-[(2-nitrophenyl)methyl]morpholin-2-yl]ethanamine (CID 81490216) is 1-[4-[(2-nitrophenyl)methyl]morpholin-2-yl]ethanamine.
What is the SMILES notation for 1-[4-[(2-nitrophenyl)methyl]morpholin-2-yl]ethanamine?
The canonical SMILES for 1-[4-[(2-nitrophenyl)methyl]morpholin-2-yl]ethanamine is CC(N)C1CN(Cc2ccccc2[N+](=O)[O-])CCO1.
What is the InChIKey of 1-[4-[(2-nitrophenyl)methyl]morpholin-2-yl]ethanamine?
The InChIKey is BCDDKKYXOYSAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-10(14)13-9-15(6-7-19-13)8-11-4-2-3-5-12(11)16(17)18/h2-5,10,13H,6-9,14H2,1H3.
What are the key properties of 1-[4-[(2-nitrophenyl)methyl]morpholin-2-yl]ethanamine?
1-[4-[(2-nitrophenyl)methyl]morpholin-2-yl]ethanamine has a molecular weight of 265.31 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-nitrophenyl)methyl]morpholin-2-yl]ethanamine is sourced from PubChem (CID 81490216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).