1-tert-butyl-2-methoxybenzene;4-(4-tert-butyl-2-pyridinyl)morpholine

C24H36N2O2 — CID 165066762

IUPAC1-tert-butyl-2-methoxybenzene;4-(4-tert-butyl-2-pyridinyl)morpholine
SMILESCC(C)(C)c1ccnc(N2CCOCC2)c1.COc1ccccc1C(C)(C)C
InChIInChI=1S/C13H20N2O.C11H16O/c1-13(2,3)11-4-5-14-12(10-11)15-6-8-16-9-7-15;1-11(2,3)9-7-5-6-8-10(9)12-4/h4-5,10H,6-9H2,1-3H3;5-8H,1-4H3
InChIKeySCCDWSHYFGVJOA-UHFFFAOYSA-N
MW384.56 g/mol
LogP5.21
Rot. Bonds2

About 1-tert-butyl-2-methoxybenzene;4-(4-tert-butyl-2-pyridinyl)morpholine

1-tert-butyl-2-methoxybenzene;4-(4-tert-butyl-2-pyridinyl)morpholine (PubChem CID 165066762) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is 1-tert-butyl-2-methoxybenzene;4-(4-tert-butyl-2-pyridinyl)morpholine.

Molecular Properties

Compound Name1-tert-butyl-2-methoxybenzene;4-(4-tert-butyl-2-pyridinyl)morpholine
PubChem CID165066762
Molecular FormulaC24H36N2O2
Molecular Weight384.56 g/mol
Exact Mass384.28
IUPAC Name1-tert-butyl-2-methoxybenzene;4-(4-tert-butyl-2-pyridinyl)morpholine
SMILESCC(C)(C)c1ccnc(N2CCOCC2)c1.COc1ccccc1C(C)(C)C
InChIInChI=1S/C13H20N2O.C11H16O/c1-13(2,3)11-4-5-14-12(10-11)15-6-8-16-9-7-15;1-11(2,3)9-7-5-6-8-10(9)12-4/h4-5,10H,6-9H2,1-3H3;5-8H,1-4H3
InChIKeySCCDWSHYFGVJOA-UHFFFAOYSA-N
XLogP5.21
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.56
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2-methoxyphenyl)-2-pyridinyl]morpholine
CID 134375667
N-(2-methoxyphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112857120
16-(2-methoxyphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 86134682
N-[2-(2-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine
CID 112886388
4-[4-(2,2-dimethylpropyl)-2-pyridinyl]morpholine
CID 59574141
1-(3,4-dimethoxyphenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]methanamine
CID 38048685
4-[4-[4-[3-(5-tert-butyl-2-methoxyphenyl)imidazolidin-1-yl]naphthalen-1-yl]oxypyrimidin-2-yl]morpholine
CID 141113577
tert-butyl 2-morpholin-4-ylpyridine-4-carboxylate
CID 2762943
N-methyl-2-morpholin-4-ylpyridin-4-amine
CID 68914812
2-methoxy-N-[3-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-3-oxopropyl]benzamide
CID 32584361
4-(2,4-ditert-butylphenyl)morpholine
CID 59709213
N-(4-tert-butylphenyl)-4-(2-morpholin-4-yl-4-pyridinyl)isoquinolin-1-amine
CID 11374021

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-methoxybenzene;4-(4-tert-butyl-2-pyridinyl)morpholine?
The IUPAC name of 1-tert-butyl-2-methoxybenzene;4-(4-tert-butyl-2-pyridinyl)morpholine (CID 165066762) is 1-tert-butyl-2-methoxybenzene;4-(4-tert-butyl-2-pyridinyl)morpholine.
What is the SMILES notation for 1-tert-butyl-2-methoxybenzene;4-(4-tert-butyl-2-pyridinyl)morpholine?
The canonical SMILES for 1-tert-butyl-2-methoxybenzene;4-(4-tert-butyl-2-pyridinyl)morpholine is CC(C)(C)c1ccnc(N2CCOCC2)c1.COc1ccccc1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-methoxybenzene;4-(4-tert-butyl-2-pyridinyl)morpholine?
The InChIKey is SCCDWSHYFGVJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.C11H16O/c1-13(2,3)11-4-5-14-12(10-11)15-6-8-16-9-7-15;1-11(2,3)9-7-5-6-8-10(9)12-4/h4-5,10H,6-9H2,1-3H3;5-8H,1-4H3.
What are the key properties of 1-tert-butyl-2-methoxybenzene;4-(4-tert-butyl-2-pyridinyl)morpholine?
1-tert-butyl-2-methoxybenzene;4-(4-tert-butyl-2-pyridinyl)morpholine has a molecular weight of 384.56 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-methoxybenzene;4-(4-tert-butyl-2-pyridinyl)morpholine is sourced from PubChem (CID 165066762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).