4-[3-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]propyl]morpholine

C21H26N2O5 — CID 170869301

IUPAC4-[3-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]propyl]morpholine
SMILESCOc1cc(CCCN2CCOCC2)ccc1OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H26N2O5/c1-26-21-15-17(3-2-10-22-11-13-27-14-12-22)6-9-20(21)28-16-18-4-7-19(8-5-18)23(24)25/h4-9,15H,2-3,10-14,16H2,1H3
InChIKeyOUENFGUADVVUSF-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.45
Rot. Bonds9

About 4-[3-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]propyl]morpholine

4-[3-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]propyl]morpholine (PubChem CID 170869301) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is 4-[3-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]propyl]morpholine
PubChem CID170869301
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Name4-[3-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]propyl]morpholine
SMILESCOc1cc(CCCN2CCOCC2)ccc1OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H26N2O5/c1-26-21-15-17(3-2-10-22-11-13-27-14-12-22)6-9-20(21)28-16-18-4-7-19(8-5-18)23(24)25/h4-9,15H,2-3,10-14,16H2,1H3
InChIKeyOUENFGUADVVUSF-UHFFFAOYSA-N
XLogP3.45
TPSA74.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[3-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]propyl]morpholine
CID 170870151
4-[3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine
CID 170870238
4-[3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propyl]morpholine
CID 170870265
4-[3-[4-(3-chloropropoxy)-3-methoxyphenyl]propyl]morpholine
CID 170869317
N-[[2-chloro-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine
CID 66537283
4-[3-(3-ethoxy-4-phenylmethoxyphenyl)propyl]morpholine
CID 170869843
4-[3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propyl]morpholine
CID 170869415
4-[4-(2-methoxy-4-propylphenoxy)butyl]morpholine;hydrochloride
CID 2993564
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 4719269
(Z)-1-[4-methoxy-3-[(4-nitrophenyl)methoxy]phenyl]-N-morpholin-4-ylmethanimine
CID 9143313
4-[2-[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]ethyl]morpholine
CID 170863583
4-[3-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]propyl]morpholine
CID 170870160

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]propyl]morpholine?
The IUPAC name of 4-[3-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]propyl]morpholine (CID 170869301) is 4-[3-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]propyl]morpholine.
What is the SMILES notation for 4-[3-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]propyl]morpholine?
The canonical SMILES for 4-[3-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]propyl]morpholine is COc1cc(CCCN2CCOCC2)ccc1OCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-[3-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]propyl]morpholine?
The InChIKey is OUENFGUADVVUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-26-21-15-17(3-2-10-22-11-13-27-14-12-22)6-9-20(21)28-16-18-4-7-19(8-5-18)23(24)25/h4-9,15H,2-3,10-14,16H2,1H3.
What are the key properties of 4-[3-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]propyl]morpholine?
4-[3-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]propyl]morpholine has a molecular weight of 386.45 g/mol, XLogP of 3.45, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]propyl]morpholine is sourced from PubChem (CID 170869301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).