4-[(4-chloro-3-nitrophenyl)methyl]-2-methylmorpholine

C12H15ClN2O3 — CID 43350266

IUPAC4-[(4-chloro-3-nitrophenyl)methyl]-2-methylmorpholine
SMILESCC1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CCO1
InChIInChI=1S/C12H15ClN2O3/c1-9-7-14(4-5-18-9)8-10-2-3-11(13)12(6-10)15(16)17/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyZVXYZEASOOLXRQ-UHFFFAOYSA-N
MW270.72 g/mol
LogP2.47
Rot. Bonds3

About 4-[(4-chloro-3-nitrophenyl)methyl]-2-methylmorpholine

4-[(4-chloro-3-nitrophenyl)methyl]-2-methylmorpholine (PubChem CID 43350266) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 4-[(4-chloro-3-nitrophenyl)methyl]-2-methylmorpholine.

Molecular Properties

Compound Name4-[(4-chloro-3-nitrophenyl)methyl]-2-methylmorpholine
PubChem CID43350266
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name4-[(4-chloro-3-nitrophenyl)methyl]-2-methylmorpholine
SMILESCC1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CCO1
InChIInChI=1S/C12H15ClN2O3/c1-9-7-14(4-5-18-9)8-10-2-3-11(13)12(6-10)15(16)17/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyZVXYZEASOOLXRQ-UHFFFAOYSA-N
XLogP2.47
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

4-[(4-chloro-3-nitrophenyl)methyl]-1,2-dimethylpiperazine
CID 63610531
1-[(4-chloro-3-nitrophenyl)methyl]-3-methylpiperazine
CID 113335445
2-[(4-chloro-3-nitrophenyl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 43620358
1-[(4-chloro-3-nitrophenyl)methyl]-3-(methoxymethyl)pyrrolidine
CID 64569921
4-[(2-ethylmorpholin-4-yl)methyl]-2-nitroaniline
CID 62182229
1-[(4-chloro-3-nitrophenyl)methyl]pyrrolidine-3-carboxamide
CID 103795236
4-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-2-nitroaniline
CID 133389364
1-[(3-chloro-4-nitrophenyl)methyl]-3-methylpiperazine;hydrochloride
CID 120840154
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-nitropyridin-2-amine
CID 47982157
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-nitrophenyl)acetamide
CID 47900135
1-[(4-chloro-3-nitrophenyl)methyl]-2,6-dimethylpiperidine
CID 43169156
1-[(4-chloro-3-nitrophenyl)methyl]-4-ethyl-4-methylpiperidine
CID 63480223

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-3-nitrophenyl)methyl]-2-methylmorpholine?
The IUPAC name of 4-[(4-chloro-3-nitrophenyl)methyl]-2-methylmorpholine (CID 43350266) is 4-[(4-chloro-3-nitrophenyl)methyl]-2-methylmorpholine.
What is the SMILES notation for 4-[(4-chloro-3-nitrophenyl)methyl]-2-methylmorpholine?
The canonical SMILES for 4-[(4-chloro-3-nitrophenyl)methyl]-2-methylmorpholine is CC1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CCO1.
What is the InChIKey of 4-[(4-chloro-3-nitrophenyl)methyl]-2-methylmorpholine?
The InChIKey is ZVXYZEASOOLXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-9-7-14(4-5-18-9)8-10-2-3-11(13)12(6-10)15(16)17/h2-3,6,9H,4-5,7-8H2,1H3.
What are the key properties of 4-[(4-chloro-3-nitrophenyl)methyl]-2-methylmorpholine?
4-[(4-chloro-3-nitrophenyl)methyl]-2-methylmorpholine has a molecular weight of 270.72 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-3-nitrophenyl)methyl]-2-methylmorpholine is sourced from PubChem (CID 43350266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).