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

C26H37NO2 — CID 130223062

IUPAC4-[[3-[5-(3-propan-2-ylphenoxy)hexan-2-yl]phenyl]methyl]morpholine
SMILESCC(CCC(C)c1cccc(CN2CCOCC2)c1)Oc1cccc(C(C)C)c1
InChIInChI=1S/C26H37NO2/c1-20(2)24-8-6-10-26(18-24)29-22(4)12-11-21(3)25-9-5-7-23(17-25)19-27-13-15-28-16-14-27/h5-10,17-18,20-22H,11-16,19H2,1-4H3
InChIKeyPIGNQSKCAYDPHG-UHFFFAOYSA-N
MW395.59 g/mol
LogP5.99
Rot. Bonds9

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

4-[[3-[5-(3-propan-2-ylphenoxy)hexan-2-yl]phenyl]methyl]morpholine (PubChem CID 130223062) has the molecular formula C26H37NO2 and a molecular weight of 395.59 g/mol. Its IUPAC name is 4-[[3-[5-(3-propan-2-ylphenoxy)hexan-2-yl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[3-[5-(3-propan-2-ylphenoxy)hexan-2-yl]phenyl]methyl]morpholine
PubChem CID130223062
Molecular FormulaC26H37NO2
Molecular Weight395.59 g/mol
Exact Mass395.28
IUPAC Name4-[[3-[5-(3-propan-2-ylphenoxy)hexan-2-yl]phenyl]methyl]morpholine
SMILESCC(CCC(C)c1cccc(CN2CCOCC2)c1)Oc1cccc(C(C)C)c1
InChIInChI=1S/C26H37NO2/c1-20(2)24-8-6-10-26(18-24)29-22(4)12-11-21(3)25-9-5-7-23(17-25)19-27-13-15-28-16-14-27/h5-10,17-18,20-22H,11-16,19H2,1-4H3
InChIKeyPIGNQSKCAYDPHG-UHFFFAOYSA-N
XLogP5.99
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.59
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(3-propan-2-ylphenoxy)propyl]morpholine
CID 42562888
N-[4-(morpholin-4-ylmethyl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 108730961
4-[1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethyl]morpholine
CID 70784455
1-[3-(morpholin-4-ylmethyl)phenyl]ethyl prop-2-enoate
CID 141095807
1-morpholin-4-yl-3-(3-propan-2-ylphenoxy)propan-2-ol
CID 110877512
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxypropanamide
CID 75814355
N-[3-(morpholin-4-ylmethyl)phenyl]-2-phenoxy-2-phenylacetamide
CID 47776428
(3-propan-2-ylphenyl) N-methyl-N-morpholin-4-ylsulfanylcarbamate
CID 88617985
4-(3-propan-2-ylphenoxy)pentan-1-amine
CID 62453134
3-(morpholin-4-ylmethyl)-N-[(2R)-2-phenylpropyl]benzamide
CID 95237190
2-[3-(piperidin-1-ylmethyl)phenyl]propan-1-ol
CID 117339044
2-[3-(pyrrolidin-1-ylmethyl)phenyl]propan-1-ol
CID 117313419

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[5-(3-propan-2-ylphenoxy)hexan-2-yl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[3-[5-(3-propan-2-ylphenoxy)hexan-2-yl]phenyl]methyl]morpholine (CID 130223062) is 4-[[3-[5-(3-propan-2-ylphenoxy)hexan-2-yl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[3-[5-(3-propan-2-ylphenoxy)hexan-2-yl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[3-[5-(3-propan-2-ylphenoxy)hexan-2-yl]phenyl]methyl]morpholine is CC(CCC(C)c1cccc(CN2CCOCC2)c1)Oc1cccc(C(C)C)c1.
What is the InChIKey of 4-[[3-[5-(3-propan-2-ylphenoxy)hexan-2-yl]phenyl]methyl]morpholine?
The InChIKey is PIGNQSKCAYDPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37NO2/c1-20(2)24-8-6-10-26(18-24)29-22(4)12-11-21(3)25-9-5-7-23(17-25)19-27-13-15-28-16-14-27/h5-10,17-18,20-22H,11-16,19H2,1-4H3.
What are the key properties of 4-[[3-[5-(3-propan-2-ylphenoxy)hexan-2-yl]phenyl]methyl]morpholine?
4-[[3-[5-(3-propan-2-ylphenoxy)hexan-2-yl]phenyl]methyl]morpholine has a molecular weight of 395.59 g/mol, XLogP of 5.99, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[5-(3-propan-2-ylphenoxy)hexan-2-yl]phenyl]methyl]morpholine is sourced from PubChem (CID 130223062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).