4-[5-(3,5-dimethoxyphenyl)-5-methylhexyl]morpholine

C19H31NO3 — CID 164538922

IUPAC4-[5-(3,5-dimethoxyphenyl)-5-methylhexyl]morpholine
SMILESCOc1cc(OC)cc(C(C)(C)CCCCN2CCOCC2)c1
InChIInChI=1S/C19H31NO3/c1-19(2,7-5-6-8-20-9-11-23-12-10-20)16-13-17(21-3)15-18(14-16)22-4/h13-15H,5-12H2,1-4H3
InChIKeyKJSNWCPOXNCLIG-UHFFFAOYSA-N
MW321.46 g/mol
LogP3.48
Rot. Bonds8

About 4-[5-(3,5-dimethoxyphenyl)-5-methylhexyl]morpholine

4-[5-(3,5-dimethoxyphenyl)-5-methylhexyl]morpholine (PubChem CID 164538922) has the molecular formula C19H31NO3 and a molecular weight of 321.46 g/mol. Its IUPAC name is 4-[5-(3,5-dimethoxyphenyl)-5-methylhexyl]morpholine.

Molecular Properties

Compound Name4-[5-(3,5-dimethoxyphenyl)-5-methylhexyl]morpholine
PubChem CID164538922
Molecular FormulaC19H31NO3
Molecular Weight321.46 g/mol
Exact Mass321.23
IUPAC Name4-[5-(3,5-dimethoxyphenyl)-5-methylhexyl]morpholine
SMILESCOc1cc(OC)cc(C(C)(C)CCCCN2CCOCC2)c1
InChIInChI=1S/C19H31NO3/c1-19(2,7-5-6-8-20-9-11-23-12-10-20)16-13-17(21-3)15-18(14-16)22-4/h13-15H,5-12H2,1-4H3
InChIKeyKJSNWCPOXNCLIG-UHFFFAOYSA-N
XLogP3.48
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(3S,4S)-3-[2,6-dimethoxy-4-(2-methyl-6-morpholin-4-ylhexan-2-yl)phenyl]-4-prop-1-en-2-ylcyclohexen-1-yl]methanol
CID 90128586
4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845
2-morpholin-4-ylethyl 3,5-dimethoxybenzoate
CID 50896866
4-[6-(4-tert-butylphenoxy)hexyl]morpholine
CID 2238032
4-[3-(3-methoxyphenyl)propyl]morpholine
CID 91901626
(E)-3-(3,5-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 36842232
2-fluoro-4-methoxy-N-(3-morpholin-4-ylpropyl)aniline
CID 82538948
1-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 16645776
[3-methoxy-5-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 123642977
4-[3-(3-methoxyphenoxy)-3-phenylpropyl]morpholine
CID 3074452
2,2-dimethyl-6-morpholin-4-ylhexanoic acid
CID 106713869
4-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine
CID 110456823

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,5-dimethoxyphenyl)-5-methylhexyl]morpholine?
The IUPAC name of 4-[5-(3,5-dimethoxyphenyl)-5-methylhexyl]morpholine (CID 164538922) is 4-[5-(3,5-dimethoxyphenyl)-5-methylhexyl]morpholine.
What is the SMILES notation for 4-[5-(3,5-dimethoxyphenyl)-5-methylhexyl]morpholine?
The canonical SMILES for 4-[5-(3,5-dimethoxyphenyl)-5-methylhexyl]morpholine is COc1cc(OC)cc(C(C)(C)CCCCN2CCOCC2)c1.
What is the InChIKey of 4-[5-(3,5-dimethoxyphenyl)-5-methylhexyl]morpholine?
The InChIKey is KJSNWCPOXNCLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO3/c1-19(2,7-5-6-8-20-9-11-23-12-10-20)16-13-17(21-3)15-18(14-16)22-4/h13-15H,5-12H2,1-4H3.
What are the key properties of 4-[5-(3,5-dimethoxyphenyl)-5-methylhexyl]morpholine?
4-[5-(3,5-dimethoxyphenyl)-5-methylhexyl]morpholine has a molecular weight of 321.46 g/mol, XLogP of 3.48, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3,5-dimethoxyphenyl)-5-methylhexyl]morpholine is sourced from PubChem (CID 164538922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).