ethane;N-methyl-N-(2-morpholin-4-ylethyl)-3-propan-2-ylaniline;4-[2-(3-propan-2-ylphenoxy)ethyl]morpholine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine

C53H92N4O4 — CID 167535418

IUPACethane;N-methyl-N-(2-morpholin-4-ylethyl)-3-propan-2-ylaniline;4-[2-(3-propan-2-ylphenoxy)ethyl]morpholine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine
SMILESCC.CC.CC.CC(C)c1cccc(N(C)CCN2CCOCC2)c1.CC(C)c1cccc(OCCN2CCCCC2)c1.CC(C)c1cccc(OCCN2CCOCC2)c1
InChIInChI=1S/C16H26N2O.C16H25NO.C15H23NO2.3C2H6/c1-14(2)15-5-4-6-16(13-15)17(3)7-8-18-9-11-19-12-10-18;1-14(2)15-7-6-8-16(13-15)18-12-11-17-9-4-3-5-10-17;1-13(2)14-4-3-5-15(12-14)18-11-8-16-6-9-17-10-7-16;3*1-2/h4-6,13-14H,7-12H2,1-3H3;6-8,13-14H,3-5,9-12H2,1-2H3;3-5,12-13H,6-11H2,1-2H3;3*1-2H3
InChIKeyAMPUSKJSYFZWNO-UHFFFAOYSA-N
MW849.34 g/mol
LogP11.85
Rot. Bonds15

About ethane;N-methyl-N-(2-morpholin-4-ylethyl)-3-propan-2-ylaniline;4-[2-(3-propan-2-ylphenoxy)ethyl]morpholine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine

ethane;N-methyl-N-(2-morpholin-4-ylethyl)-3-propan-2-ylaniline;4-[2-(3-propan-2-ylphenoxy)ethyl]morpholine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine (PubChem CID 167535418) has the molecular formula C53H92N4O4 and a molecular weight of 849.34 g/mol. Its IUPAC name is ethane;N-methyl-N-(2-morpholin-4-ylethyl)-3-propan-2-ylaniline;4-[2-(3-propan-2-ylphenoxy)ethyl]morpholine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine.

Molecular Properties

Compound Nameethane;N-methyl-N-(2-morpholin-4-ylethyl)-3-propan-2-ylaniline;4-[2-(3-propan-2-ylphenoxy)ethyl]morpholine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine
PubChem CID167535418
Molecular FormulaC53H92N4O4
Molecular Weight849.34 g/mol
Exact Mass848.71
IUPAC Nameethane;N-methyl-N-(2-morpholin-4-ylethyl)-3-propan-2-ylaniline;4-[2-(3-propan-2-ylphenoxy)ethyl]morpholine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine
SMILESCC.CC.CC.CC(C)c1cccc(N(C)CCN2CCOCC2)c1.CC(C)c1cccc(OCCN2CCCCC2)c1.CC(C)c1cccc(OCCN2CCOCC2)c1
InChIInChI=1S/C16H26N2O.C16H25NO.C15H23NO2.3C2H6/c1-14(2)15-5-4-6-16(13-15)17(3)7-8-18-9-11-19-12-10-18;1-14(2)15-7-6-8-16(13-15)18-12-11-17-9-4-3-5-10-17;1-13(2)14-4-3-5-15(12-14)18-11-8-16-6-9-17-10-7-16;3*1-2/h4-6,13-14H,7-12H2,1-3H3;6-8,13-14H,3-5,9-12H2,1-2H3;3-5,12-13H,6-11H2,1-2H3;3*1-2H3
InChIKeyAMPUSKJSYFZWNO-UHFFFAOYSA-N
XLogP11.85
TPSA49.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.34
LogP ≤ 511.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethane;N-methyl-N-(2-morpholin-4-ylethyl)-3-propan-2-ylaniline;4-[2-(3-propan-2-ylphenoxy)ethyl]morpholine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine with MolForge

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Related Compounds

1-[2-(3-propan-2-ylphenoxy)ethyl]pyrrolidine
CID 869541
4-[3-(3-propan-2-ylphenoxy)propyl]morpholine
CID 42562888
1-[3-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 43504270
1-methyl-4-[2-(3-propan-2-ylphenoxy)ethyl]piperazine
CID 59135331
(1R)-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol
CID 78934419
ethane;4-[2-(3-methylphenoxy)ethyl]morpholine
CID 143019407
1-(oxetan-3-yl)-4-[2-(3-propan-2-ylphenoxy)ethyl]piperazine
CID 176757504
1-[2-[3,5-di(propan-2-yl)phenoxy]ethyl]piperidine
CID 90706793
N-methyl-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
CID 60883623
4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436
1-morpholin-4-yl-3-(3-propan-2-ylphenoxy)propan-2-ol
CID 110877512
N,N,N'-trimethyl-N'-[3-(2-morpholin-4-ylethoxy)phenyl]butanediamide
CID 23557227

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-N-(2-morpholin-4-ylethyl)-3-propan-2-ylaniline;4-[2-(3-propan-2-ylphenoxy)ethyl]morpholine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine?
The IUPAC name of ethane;N-methyl-N-(2-morpholin-4-ylethyl)-3-propan-2-ylaniline;4-[2-(3-propan-2-ylphenoxy)ethyl]morpholine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine (CID 167535418) is ethane;N-methyl-N-(2-morpholin-4-ylethyl)-3-propan-2-ylaniline;4-[2-(3-propan-2-ylphenoxy)ethyl]morpholine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine.
What is the SMILES notation for ethane;N-methyl-N-(2-morpholin-4-ylethyl)-3-propan-2-ylaniline;4-[2-(3-propan-2-ylphenoxy)ethyl]morpholine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine?
The canonical SMILES for ethane;N-methyl-N-(2-morpholin-4-ylethyl)-3-propan-2-ylaniline;4-[2-(3-propan-2-ylphenoxy)ethyl]morpholine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine is CC.CC.CC.CC(C)c1cccc(N(C)CCN2CCOCC2)c1.CC(C)c1cccc(OCCN2CCCCC2)c1.CC(C)c1cccc(OCCN2CCOCC2)c1.
What is the InChIKey of ethane;N-methyl-N-(2-morpholin-4-ylethyl)-3-propan-2-ylaniline;4-[2-(3-propan-2-ylphenoxy)ethyl]morpholine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine?
The InChIKey is AMPUSKJSYFZWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.C16H25NO.C15H23NO2.3C2H6/c1-14(2)15-5-4-6-16(13-15)17(3)7-8-18-9-11-19-12-10-18;1-14(2)15-7-6-8-16(13-15)18-12-11-17-9-4-3-5-10-17;1-13(2)14-4-3-5-15(12-14)18-11-8-16-6-9-17-10-7-16;3*1-2/h4-6,13-14H,7-12H2,1-3H3;6-8,13-14H,3-5,9-12H2,1-2H3;3-5,12-13H,6-11H2,1-2H3;3*1-2H3.
What are the key properties of ethane;N-methyl-N-(2-morpholin-4-ylethyl)-3-propan-2-ylaniline;4-[2-(3-propan-2-ylphenoxy)ethyl]morpholine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine?
ethane;N-methyl-N-(2-morpholin-4-ylethyl)-3-propan-2-ylaniline;4-[2-(3-propan-2-ylphenoxy)ethyl]morpholine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine has a molecular weight of 849.34 g/mol, XLogP of 11.85, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-N-(2-morpholin-4-ylethyl)-3-propan-2-ylaniline;4-[2-(3-propan-2-ylphenoxy)ethyl]morpholine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine is sourced from PubChem (CID 167535418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).