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

C13H18FN3O3 — CID 103594251

IUPAC1-[4-(4-fluoro-5-methyl-2-nitrophenyl)morpholin-2-yl]ethanamine
SMILESCc1cc(N2CCOC(C(C)N)C2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C13H18FN3O3/c1-8-5-11(12(17(18)19)6-10(8)14)16-3-4-20-13(7-16)9(2)15/h5-6,9,13H,3-4,7,15H2,1-2H3
InChIKeyCZEVWGKCHQVJEN-UHFFFAOYSA-N
MW283.30 g/mol
LogP1.59
Rot. Bonds3

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

1-[4-(4-fluoro-5-methyl-2-nitrophenyl)morpholin-2-yl]ethanamine (PubChem CID 103594251) has the molecular formula C13H18FN3O3 and a molecular weight of 283.30 g/mol. Its IUPAC name is 1-[4-(4-fluoro-5-methyl-2-nitrophenyl)morpholin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(4-fluoro-5-methyl-2-nitrophenyl)morpholin-2-yl]ethanamine
PubChem CID103594251
Molecular FormulaC13H18FN3O3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC Name1-[4-(4-fluoro-5-methyl-2-nitrophenyl)morpholin-2-yl]ethanamine
SMILESCc1cc(N2CCOC(C(C)N)C2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C13H18FN3O3/c1-8-5-11(12(17(18)19)6-10(8)14)16-3-4-20-13(7-16)9(2)15/h5-6,9,13H,3-4,7,15H2,1-2H3
InChIKeyCZEVWGKCHQVJEN-UHFFFAOYSA-N
XLogP1.59
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 51.59
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-methyl-2-nitrophenyl)morpholin-2-yl]ethanamine
CID 115315864
1-[4-(2-methyl-4-nitrophenyl)morpholin-2-yl]ethanamine
CID 115315768
1-[4-(2-methyl-6-nitrophenyl)morpholin-2-yl]ethanamine
CID 115553962
(3R)-1-(4-fluoro-5-methyl-2-nitrophenyl)-3-methylpiperazine
CID 103594274
1-(4-fluoro-5-methyl-2-nitrophenyl)-3-methylpiperidin-4-amine
CID 103594229
[1-(4-fluoro-5-methyl-2-nitrophenyl)pyrrolidin-3-yl]methanamine
CID 103594143
1-[4-(2-iodo-4-nitrophenyl)morpholin-2-yl]ethanamine
CID 115315849
[1-(4-fluoro-5-methyl-2-nitrophenyl)piperidin-4-yl]methanamine
CID 103594139
[2-(1-aminoethyl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone
CID 81487374
1-[1-(4-fluoro-5-methyl-2-nitrophenyl)piperidin-4-yl]ethanone
CID 103591260
[2-(1-aminoethyl)morpholin-4-yl]-(4-fluoro-2-nitrophenyl)methanone
CID 115737892
1-[1-(4-fluoro-5-methoxy-2-nitrophenyl)pyrrolidin-3-yl]ethanamine
CID 103976874

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluoro-5-methyl-2-nitrophenyl)morpholin-2-yl]ethanamine?
The IUPAC name of 1-[4-(4-fluoro-5-methyl-2-nitrophenyl)morpholin-2-yl]ethanamine (CID 103594251) is 1-[4-(4-fluoro-5-methyl-2-nitrophenyl)morpholin-2-yl]ethanamine.
What is the SMILES notation for 1-[4-(4-fluoro-5-methyl-2-nitrophenyl)morpholin-2-yl]ethanamine?
The canonical SMILES for 1-[4-(4-fluoro-5-methyl-2-nitrophenyl)morpholin-2-yl]ethanamine is Cc1cc(N2CCOC(C(C)N)C2)c([N+](=O)[O-])cc1F.
What is the InChIKey of 1-[4-(4-fluoro-5-methyl-2-nitrophenyl)morpholin-2-yl]ethanamine?
The InChIKey is CZEVWGKCHQVJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O3/c1-8-5-11(12(17(18)19)6-10(8)14)16-3-4-20-13(7-16)9(2)15/h5-6,9,13H,3-4,7,15H2,1-2H3.
What are the key properties of 1-[4-(4-fluoro-5-methyl-2-nitrophenyl)morpholin-2-yl]ethanamine?
1-[4-(4-fluoro-5-methyl-2-nitrophenyl)morpholin-2-yl]ethanamine has a molecular weight of 283.30 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluoro-5-methyl-2-nitrophenyl)morpholin-2-yl]ethanamine is sourced from PubChem (CID 103594251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).