(2S)-2-ethyl-4-(4-nitrophenyl)morpholine

C12H16N2O3 — CID 95151191

IUPAC(2S)-2-ethyl-4-(4-nitrophenyl)morpholine
SMILESCC[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CCO1
InChIInChI=1S/C12H16N2O3/c1-2-12-9-13(7-8-17-12)10-3-5-11(6-4-10)14(15)16/h3-6,12H,2,7-9H2,1H3/t12-/m0/s1
InChIKeyMCVUOANESFJKPR-LBPRGKRZSA-N
MW236.27 g/mol
LogP2.21
Rot. Bonds3

About (2S)-2-ethyl-4-(4-nitrophenyl)morpholine

(2S)-2-ethyl-4-(4-nitrophenyl)morpholine (PubChem CID 95151191) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is (2S)-2-ethyl-4-(4-nitrophenyl)morpholine.

Molecular Properties

Compound Name(2S)-2-ethyl-4-(4-nitrophenyl)morpholine
PubChem CID95151191
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name(2S)-2-ethyl-4-(4-nitrophenyl)morpholine
SMILESCC[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CCO1
InChIInChI=1S/C12H16N2O3/c1-2-12-9-13(7-8-17-12)10-3-5-11(6-4-10)14(15)16/h3-6,12H,2,7-9H2,1H3/t12-/m0/s1
InChIKeyMCVUOANESFJKPR-LBPRGKRZSA-N
XLogP2.21
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-methyl-4-(4-nitrophenyl)morpholine
CID 71113420
3-(2-ethylmorpholin-4-yl)-5-nitroaniline
CID 80788603
1-[4-(2-ethylmorpholin-4-yl)phenyl]-N-methylmethanamine
CID 43562969
methyl 5-[(2R)-2-ethylmorpholin-4-yl]-2-nitrobenzoate
CID 36722872
(2S)-4-(4-nitrophenyl)morpholine-2-carboxamide
CID 94375145
3-ethyl-1-(4-nitrophenyl)piperidin-4-amine
CID 81459759
ethane;methanol;4-(4-nitrophenyl)morpholine
CID 177318557
(5S)-5-ethyl-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,3-oxazolidin-2-one
CID 59735366
(2-amino-5-nitrophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 62155670
4-(2-ethyl-1,4-oxazepan-4-yl)benzonitrile
CID 114217515
1-[4-(2-ethyl-1,4-oxazepan-4-yl)phenyl]ethanone
CID 114218460
2-(2-ethylmorpholin-4-yl)benzonitrile
CID 43429873

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-4-(4-nitrophenyl)morpholine?
The IUPAC name of (2S)-2-ethyl-4-(4-nitrophenyl)morpholine (CID 95151191) is (2S)-2-ethyl-4-(4-nitrophenyl)morpholine.
What is the SMILES notation for (2S)-2-ethyl-4-(4-nitrophenyl)morpholine?
The canonical SMILES for (2S)-2-ethyl-4-(4-nitrophenyl)morpholine is CC[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CCO1.
What is the InChIKey of (2S)-2-ethyl-4-(4-nitrophenyl)morpholine?
The InChIKey is MCVUOANESFJKPR-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-2-12-9-13(7-8-17-12)10-3-5-11(6-4-10)14(15)16/h3-6,12H,2,7-9H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-2-ethyl-4-(4-nitrophenyl)morpholine?
(2S)-2-ethyl-4-(4-nitrophenyl)morpholine has a molecular weight of 236.27 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-4-(4-nitrophenyl)morpholine is sourced from PubChem (CID 95151191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).