4-[3-(cyclopropyloxymethyl)-5-nitrophenyl]morpholine

C14H18N2O4 — CID 177331560

IUPAC4-[3-(cyclopropyloxymethyl)-5-nitrophenyl]morpholine
SMILESO=[N+]([O-])c1cc(COC2CC2)cc(N2CCOCC2)c1
InChIInChI=1S/C14H18N2O4/c17-16(18)13-8-11(10-20-14-1-2-14)7-12(9-13)15-3-5-19-6-4-15/h7-9,14H,1-6,10H2
InChIKeyFBGSUWDFOMJWHH-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.11
Rot. Bonds5

About 4-[3-(cyclopropyloxymethyl)-5-nitrophenyl]morpholine

4-[3-(cyclopropyloxymethyl)-5-nitrophenyl]morpholine (PubChem CID 177331560) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-[3-(cyclopropyloxymethyl)-5-nitrophenyl]morpholine.

Molecular Properties

Compound Name4-[3-(cyclopropyloxymethyl)-5-nitrophenyl]morpholine
PubChem CID177331560
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-[3-(cyclopropyloxymethyl)-5-nitrophenyl]morpholine
SMILESO=[N+]([O-])c1cc(COC2CC2)cc(N2CCOCC2)c1
InChIInChI=1S/C14H18N2O4/c17-16(18)13-8-11(10-20-14-1-2-14)7-12(9-13)15-3-5-19-6-4-15/h7-9,14H,1-6,10H2
InChIKeyFBGSUWDFOMJWHH-UHFFFAOYSA-N
XLogP2.11
TPSA64.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.11
H-Bond Donors ≤ 50
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

4-[3-[(4-methylpiperazin-1-yl)methyl]-5-nitrophenyl]morpholine
CID 69322898
(3R)-1-(3-morpholin-4-yl-5-nitrophenyl)pyrrolidin-3-ol
CID 69320000
4-[3-(4-methylpiperazin-1-yl)-5-nitrophenyl]morpholine
CID 69324522
3-morpholin-4-yl-5-nitrobenzoic acid
CID 59817793
1-(cyclopropyloxymethyl)-4-nitrobenzene
CID 171836486
methyl 3-morpholin-4-yl-5-nitrobenzoate;3-morpholin-4-yl-5-nitrobenzoic acid
CID 161316343
1-(cyclohexyloxymethyl)-3-nitrobenzene
CID 11264832
4-nitro-2-(oxan-4-yloxymethyl)aniline
CID 55044799
4-[3-(2-chloropyrimidin-4-yl)-5-nitrophenyl]morpholine
CID 59587987
ethane;methanol;4-(4-nitrophenyl)morpholine
CID 177318557
4-(6-nitro-3-bicyclo[3.1.1]hepta-1,3,5-trienyl)morpholine
CID 173213959
N,N-dimethyl-3-morpholin-4-yl-5-nitrobenzamide;3-morpholin-4-yl-5-nitrobenzoic acid
CID 158405345

Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclopropyloxymethyl)-5-nitrophenyl]morpholine?
The IUPAC name of 4-[3-(cyclopropyloxymethyl)-5-nitrophenyl]morpholine (CID 177331560) is 4-[3-(cyclopropyloxymethyl)-5-nitrophenyl]morpholine.
What is the SMILES notation for 4-[3-(cyclopropyloxymethyl)-5-nitrophenyl]morpholine?
The canonical SMILES for 4-[3-(cyclopropyloxymethyl)-5-nitrophenyl]morpholine is O=[N+]([O-])c1cc(COC2CC2)cc(N2CCOCC2)c1.
What is the InChIKey of 4-[3-(cyclopropyloxymethyl)-5-nitrophenyl]morpholine?
The InChIKey is FBGSUWDFOMJWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c17-16(18)13-8-11(10-20-14-1-2-14)7-12(9-13)15-3-5-19-6-4-15/h7-9,14H,1-6,10H2.
What are the key properties of 4-[3-(cyclopropyloxymethyl)-5-nitrophenyl]morpholine?
4-[3-(cyclopropyloxymethyl)-5-nitrophenyl]morpholine has a molecular weight of 278.31 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclopropyloxymethyl)-5-nitrophenyl]morpholine is sourced from PubChem (CID 177331560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).