4-[4-(1,1-dimethoxyethyl)-3-methoxyphenyl]morpholine

C15H23NO4 — CID 174708451

IUPAC4-[4-(1,1-dimethoxyethyl)-3-methoxyphenyl]morpholine
SMILESCOc1cc(N2CCOCC2)ccc1C(C)(OC)OC
InChIInChI=1S/C15H23NO4/c1-15(18-3,19-4)13-6-5-12(11-14(13)17-2)16-7-9-20-10-8-16/h5-6,11H,7-10H2,1-4H3
InChIKeyAPXBVDPMKMOEBH-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.00
Rot. Bonds5

About 4-[4-(1,1-dimethoxyethyl)-3-methoxyphenyl]morpholine

4-[4-(1,1-dimethoxyethyl)-3-methoxyphenyl]morpholine (PubChem CID 174708451) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 4-[4-(1,1-dimethoxyethyl)-3-methoxyphenyl]morpholine.

Molecular Properties

Compound Name4-[4-(1,1-dimethoxyethyl)-3-methoxyphenyl]morpholine
PubChem CID174708451
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name4-[4-(1,1-dimethoxyethyl)-3-methoxyphenyl]morpholine
SMILESCOc1cc(N2CCOCC2)ccc1C(C)(OC)OC
InChIInChI=1S/C15H23NO4/c1-15(18-3,19-4)13-6-5-12(11-14(13)17-2)16-7-9-20-10-8-16/h5-6,11H,7-10H2,1-4H3
InChIKeyAPXBVDPMKMOEBH-UHFFFAOYSA-N
XLogP2.00
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[3,5-dimethoxy-4-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine
CID 135200868
bis((2-methoxy-4-morpholin-4-ylphenyl)diazene);chloride
CID 123629300
4-(3,4-diethoxyphenyl)morpholine
CID 154477521
2-amino-1-(2-methoxy-5-morpholin-4-ylphenyl)ethanol
CID 117384184
(E)-4-(2-methoxy-4-morpholin-4-ylphenyl)-2-oxobut-3-enoic acid
CID 126743116
(E)-3-(2-methoxy-5-morpholin-4-ylphenyl)prop-2-en-1-amine
CID 117374281
1-(2-methoxy-5-morpholin-4-ylphenyl)cyclohexan-1-amine
CID 117469481
N-(2,2-dimethylpropyl)-2-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-8-amine
CID 146864840
4-[4-(5-fluoro-2-methoxyphenyl)phenyl]morpholine
CID 131890518
3-(2-methoxy-5-morpholin-4-ylphenyl)propanoic acid
CID 117417021
4-methoxy-6-morpholin-4-ylquinoline-2-carboxylic acid
CID 102942059
3-(2-methoxy-5-morpholin-4-ylphenyl)butan-1-amine
CID 117415712

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,1-dimethoxyethyl)-3-methoxyphenyl]morpholine?
The IUPAC name of 4-[4-(1,1-dimethoxyethyl)-3-methoxyphenyl]morpholine (CID 174708451) is 4-[4-(1,1-dimethoxyethyl)-3-methoxyphenyl]morpholine.
What is the SMILES notation for 4-[4-(1,1-dimethoxyethyl)-3-methoxyphenyl]morpholine?
The canonical SMILES for 4-[4-(1,1-dimethoxyethyl)-3-methoxyphenyl]morpholine is COc1cc(N2CCOCC2)ccc1C(C)(OC)OC.
What is the InChIKey of 4-[4-(1,1-dimethoxyethyl)-3-methoxyphenyl]morpholine?
The InChIKey is APXBVDPMKMOEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-15(18-3,19-4)13-6-5-12(11-14(13)17-2)16-7-9-20-10-8-16/h5-6,11H,7-10H2,1-4H3.
What are the key properties of 4-[4-(1,1-dimethoxyethyl)-3-methoxyphenyl]morpholine?
4-[4-(1,1-dimethoxyethyl)-3-methoxyphenyl]morpholine has a molecular weight of 281.35 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,1-dimethoxyethyl)-3-methoxyphenyl]morpholine is sourced from PubChem (CID 174708451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).