2-morpholin-4-yl-2-(4-nitrophenyl)ethanamine

C12H17N3O3 — CID 82041960

IUPAC2-morpholin-4-yl-2-(4-nitrophenyl)ethanamine
SMILESNCC(c1ccc([N+](=O)[O-])cc1)N1CCOCC1
InChIInChI=1S/C12H17N3O3/c13-9-12(14-5-7-18-8-6-14)10-1-3-11(4-2-10)15(16)17/h1-4,12H,5-9,13H2
InChIKeyUGIKIPJZQUCEKV-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.93
Rot. Bonds4

About 2-morpholin-4-yl-2-(4-nitrophenyl)ethanamine

2-morpholin-4-yl-2-(4-nitrophenyl)ethanamine (PubChem CID 82041960) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-morpholin-4-yl-2-(4-nitrophenyl)ethanamine.

Molecular Properties

Compound Name2-morpholin-4-yl-2-(4-nitrophenyl)ethanamine
PubChem CID82041960
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-morpholin-4-yl-2-(4-nitrophenyl)ethanamine
SMILESNCC(c1ccc([N+](=O)[O-])cc1)N1CCOCC1
InChIInChI=1S/C12H17N3O3/c13-9-12(14-5-7-18-8-6-14)10-1-3-11(4-2-10)15(16)17/h1-4,12H,5-9,13H2
InChIKeyUGIKIPJZQUCEKV-UHFFFAOYSA-N
XLogP0.93
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.93
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

2-(4-methylpiperazin-1-yl)-2-(4-nitrophenyl)ethanamine
CID 82042594
2-morpholin-4-yl-2-(4-nitrophenyl)ethanesulfonyl fluoride
CID 162406640
4-[1-(4-nitrophenyl)ethyl]morpholine
CID 13398803
2-morpholin-4-yl-2-(4-nitrophenyl)acetonitrile
CID 84747445
2-(3,5-dimethylpiperidin-1-yl)-2-(4-nitrophenyl)ethanamine
CID 82043412
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-nitrophenyl)acetamide
CID 60597032
4-(2-amino-1-morpholin-4-ylethyl)-N,N-diethylaniline
CID 16642854
4-(2-amino-1-morpholin-4-ylethyl)benzene-1,2-diol
CID 16782087
(2R)-2-morpholin-4-yl-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 30114876
2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine;oxalic acid
CID 171156320
1-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(4-nitrophenyl)thiourea
CID 8683659
4-[1-(4-nitrophenyl)sulfanylethyl]morpholine
CID 19779513

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-2-(4-nitrophenyl)ethanamine?
The IUPAC name of 2-morpholin-4-yl-2-(4-nitrophenyl)ethanamine (CID 82041960) is 2-morpholin-4-yl-2-(4-nitrophenyl)ethanamine.
What is the SMILES notation for 2-morpholin-4-yl-2-(4-nitrophenyl)ethanamine?
The canonical SMILES for 2-morpholin-4-yl-2-(4-nitrophenyl)ethanamine is NCC(c1ccc([N+](=O)[O-])cc1)N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-2-(4-nitrophenyl)ethanamine?
The InChIKey is UGIKIPJZQUCEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c13-9-12(14-5-7-18-8-6-14)10-1-3-11(4-2-10)15(16)17/h1-4,12H,5-9,13H2.
What are the key properties of 2-morpholin-4-yl-2-(4-nitrophenyl)ethanamine?
2-morpholin-4-yl-2-(4-nitrophenyl)ethanamine has a molecular weight of 251.29 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-2-(4-nitrophenyl)ethanamine is sourced from PubChem (CID 82041960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).