4-(3-methyl-4-nitrophenyl)-3-(2-methylpropyl)morpholine

C15H22N2O3 — CID 133428121

IUPAC4-(3-methyl-4-nitrophenyl)-3-(2-methylpropyl)morpholine
SMILESCc1cc(N2CCOCC2CC(C)C)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H22N2O3/c1-11(2)8-14-10-20-7-6-16(14)13-4-5-15(17(18)19)12(3)9-13/h4-5,9,11,14H,6-8,10H2,1-3H3
InChIKeyMKKXHJCAHDOQNT-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.15
Rot. Bonds4

About 4-(3-methyl-4-nitrophenyl)-3-(2-methylpropyl)morpholine

4-(3-methyl-4-nitrophenyl)-3-(2-methylpropyl)morpholine (PubChem CID 133428121) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-(3-methyl-4-nitrophenyl)-3-(2-methylpropyl)morpholine.

Molecular Properties

Compound Name4-(3-methyl-4-nitrophenyl)-3-(2-methylpropyl)morpholine
PubChem CID133428121
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-(3-methyl-4-nitrophenyl)-3-(2-methylpropyl)morpholine
SMILESCc1cc(N2CCOCC2CC(C)C)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H22N2O3/c1-11(2)8-14-10-20-7-6-16(14)13-4-5-15(17(18)19)12(3)9-13/h4-5,9,11,14H,6-8,10H2,1-3H3
InChIKeyMKKXHJCAHDOQNT-UHFFFAOYSA-N
XLogP3.15
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.15
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-[[1-(3-methyl-4-nitrophenyl)pyrrolidin-2-yl]methyl]morpholine
CID 86801732
2,3-dimethyl-1-(3-methyl-4-nitrophenyl)pyrrolidine
CID 133357701
tert-butyl-dimethyl-[[(2R)-1-(3-methyl-4-nitrophenyl)pyrrolidin-2-yl]methoxy]silane
CID 59003386
[1-(3-methyl-4-nitrophenyl)piperidin-4-yl]methanol
CID 47281098
(1R)-1-[4-(3-ethylmorpholin-4-yl)-3-nitrophenyl]ethanol
CID 63370957
1-(3-methyl-4-nitrophenyl)pyrrolidin-3-ol
CID 22320998
1-(3-methyl-4-nitrophenyl)azepane
CID 23103808
1,2,5-trimethyl-4-(3-methyl-4-nitrophenyl)piperazine
CID 75440705
1-[4-(3-ethylmorpholin-4-yl)-2-methylphenyl]butan-2-amine
CID 63785824
2-[4-(4-methylphenyl)morpholin-3-yl]acetic acid
CID 117009339
3-methyl-4-nitro-N-[1-(oxolan-3-yl)ethyl]aniline
CID 115886075
4-(3-methyl-4-nitrophenyl)thiomorpholine
CID 11514222

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-4-nitrophenyl)-3-(2-methylpropyl)morpholine?
The IUPAC name of 4-(3-methyl-4-nitrophenyl)-3-(2-methylpropyl)morpholine (CID 133428121) is 4-(3-methyl-4-nitrophenyl)-3-(2-methylpropyl)morpholine.
What is the SMILES notation for 4-(3-methyl-4-nitrophenyl)-3-(2-methylpropyl)morpholine?
The canonical SMILES for 4-(3-methyl-4-nitrophenyl)-3-(2-methylpropyl)morpholine is Cc1cc(N2CCOCC2CC(C)C)ccc1[N+](=O)[O-].
What is the InChIKey of 4-(3-methyl-4-nitrophenyl)-3-(2-methylpropyl)morpholine?
The InChIKey is MKKXHJCAHDOQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(2)8-14-10-20-7-6-16(14)13-4-5-15(17(18)19)12(3)9-13/h4-5,9,11,14H,6-8,10H2,1-3H3.
What are the key properties of 4-(3-methyl-4-nitrophenyl)-3-(2-methylpropyl)morpholine?
4-(3-methyl-4-nitrophenyl)-3-(2-methylpropyl)morpholine has a molecular weight of 278.35 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-4-nitrophenyl)-3-(2-methylpropyl)morpholine is sourced from PubChem (CID 133428121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).