4-[3-[2-(2-methyl-5-propan-2-ylphenoxy)phenyl]propyl]morpholine

C23H31NO2 — CID 170870671

IUPAC4-[3-[2-(2-methyl-5-propan-2-ylphenoxy)phenyl]propyl]morpholine
SMILESCc1ccc(C(C)C)cc1Oc1ccccc1CCCN1CCOCC1
InChIInChI=1S/C23H31NO2/c1-18(2)21-11-10-19(3)23(17-21)26-22-9-5-4-7-20(22)8-6-12-24-13-15-25-16-14-24/h4-5,7,9-11,17-18H,6,8,12-16H2,1-3H3
InChIKeyPZMMTRRLJAXWPI-UHFFFAOYSA-N
MW353.51 g/mol
LogP5.18
Rot. Bonds7

About 4-[3-[2-(2-methyl-5-propan-2-ylphenoxy)phenyl]propyl]morpholine

4-[3-[2-(2-methyl-5-propan-2-ylphenoxy)phenyl]propyl]morpholine (PubChem CID 170870671) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is 4-[3-[2-(2-methyl-5-propan-2-ylphenoxy)phenyl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[2-(2-methyl-5-propan-2-ylphenoxy)phenyl]propyl]morpholine
PubChem CID170870671
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC Name4-[3-[2-(2-methyl-5-propan-2-ylphenoxy)phenyl]propyl]morpholine
SMILESCc1ccc(C(C)C)cc1Oc1ccccc1CCCN1CCOCC1
InChIInChI=1S/C23H31NO2/c1-18(2)21-11-10-19(3)23(17-21)26-22-9-5-4-7-20(22)8-6-12-24-13-15-25-16-14-24/h4-5,7,9-11,17-18H,6,8,12-16H2,1-3H3
InChIKeyPZMMTRRLJAXWPI-UHFFFAOYSA-N
XLogP5.18
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(2-methoxy-5-propan-2-ylphenyl)propyl]morpholine
CID 170869682
4-[3-[2-(2-methylpropoxy)phenyl]propyl]morpholine
CID 170870421
4-[3-[2-(3-morpholin-4-ylpropoxy)phenyl]propyl]morpholine
CID 170869645
4-[3-(4-propan-2-ylphenyl)propyl]morpholine
CID 146185786
4-[3-(5-butan-2-yl-2-methoxyphenyl)propyl]morpholine
CID 170870505
4-[3-[2-(4-chloro-3-fluorophenoxy)phenyl]propyl]morpholine
CID 170870231
4-[3-(2-phenylmethoxyphenyl)propyl]morpholine
CID 170869183
4-[2-(2-naphthalen-2-yloxyphenyl)ethyl]morpholine
CID 142671247
1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-4-phenylpiperazine
CID 67917207
4-[3-[2-[4-[2-(3-morpholin-4-ylpropyl)phenyl]piperazin-1-yl]phenyl]propyl]morpholine
CID 170869798
3-[2-(3-morpholin-4-ylpropyl)phenoxy]propyl-triphenylphosphanium
CID 170869428
4-[3-[3-(3-morpholin-4-ylpropyl)naphthalen-2-yl]propyl]morpholine
CID 170869299

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(2-methyl-5-propan-2-ylphenoxy)phenyl]propyl]morpholine?
The IUPAC name of 4-[3-[2-(2-methyl-5-propan-2-ylphenoxy)phenyl]propyl]morpholine (CID 170870671) is 4-[3-[2-(2-methyl-5-propan-2-ylphenoxy)phenyl]propyl]morpholine.
What is the SMILES notation for 4-[3-[2-(2-methyl-5-propan-2-ylphenoxy)phenyl]propyl]morpholine?
The canonical SMILES for 4-[3-[2-(2-methyl-5-propan-2-ylphenoxy)phenyl]propyl]morpholine is Cc1ccc(C(C)C)cc1Oc1ccccc1CCCN1CCOCC1.
What is the InChIKey of 4-[3-[2-(2-methyl-5-propan-2-ylphenoxy)phenyl]propyl]morpholine?
The InChIKey is PZMMTRRLJAXWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2/c1-18(2)21-11-10-19(3)23(17-21)26-22-9-5-4-7-20(22)8-6-12-24-13-15-25-16-14-24/h4-5,7,9-11,17-18H,6,8,12-16H2,1-3H3.
What are the key properties of 4-[3-[2-(2-methyl-5-propan-2-ylphenoxy)phenyl]propyl]morpholine?
4-[3-[2-(2-methyl-5-propan-2-ylphenoxy)phenyl]propyl]morpholine has a molecular weight of 353.51 g/mol, XLogP of 5.18, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(2-methyl-5-propan-2-ylphenoxy)phenyl]propyl]morpholine is sourced from PubChem (CID 170870671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).