ethane;4-[1-(4-methylphenyl)propan-2-yl]morpholine

C16H27NO — CID 143833538

IUPACethane;4-[1-(4-methylphenyl)propan-2-yl]morpholine
SMILESCC.Cc1ccc(CC(C)N2CCOCC2)cc1
InChIInChI=1S/C14H21NO.C2H6/c1-12-3-5-14(6-4-12)11-13(2)15-7-9-16-10-8-15;1-2/h3-6,13H,7-11H2,1-2H3;1-2H3
InChIKeyDDFCHEPTDDNWOO-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.28
Rot. Bonds3

About ethane;4-[1-(4-methylphenyl)propan-2-yl]morpholine

ethane;4-[1-(4-methylphenyl)propan-2-yl]morpholine (PubChem CID 143833538) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is ethane;4-[1-(4-methylphenyl)propan-2-yl]morpholine.

Molecular Properties

Compound Nameethane;4-[1-(4-methylphenyl)propan-2-yl]morpholine
PubChem CID143833538
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Nameethane;4-[1-(4-methylphenyl)propan-2-yl]morpholine
SMILESCC.Cc1ccc(CC(C)N2CCOCC2)cc1
InChIInChI=1S/C14H21NO.C2H6/c1-12-3-5-14(6-4-12)11-13(2)15-7-9-16-10-8-15;1-2/h3-6,13H,7-11H2,1-2H3;1-2H3
InChIKeyDDFCHEPTDDNWOO-UHFFFAOYSA-N
XLogP3.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2R)-1-phenylpropan-2-yl]morpholine
CID 71110957
[4-(2-morpholin-4-ylpropyl)phenyl]methanesulfonic acid
CID 159021674
5-methyl-2-(2-morpholin-4-ylpropyl)benzenethiol
CID 175441956
4-[2-[4-(1-phenylpropan-2-yl)piperazin-1-yl]ethyl]morpholine
CID 123753899
4-[1-(2-methoxy-5-methylphenyl)propan-2-yl]morpholine;hydrochloride
CID 3063666
4-[(2S,5R)-5-(4-methylphenoxy)hexan-2-yl]morpholine
CID 1363274
4-(3-morpholin-4-ylbutyl)phenol
CID 2846721
3-(4-methylphenyl)-2-morpholin-4-ylbutan-1-amine
CID 82086961
4-[1-[4-(1-ethylindol-3-yl)sulfanylphenyl]propan-2-yl]morpholine
CID 126576449
4-methyl-2-(3-morpholin-4-ylbutoxy)aniline
CID 82037237
ethane;2-morpholin-4-ylpropan-1-ol
CID 142923575
4-[4-(4-methoxyphenyl)butan-2-yl]morpholine
CID 2846261

Frequently Asked Questions

What is the IUPAC name of ethane;4-[1-(4-methylphenyl)propan-2-yl]morpholine?
The IUPAC name of ethane;4-[1-(4-methylphenyl)propan-2-yl]morpholine (CID 143833538) is ethane;4-[1-(4-methylphenyl)propan-2-yl]morpholine.
What is the SMILES notation for ethane;4-[1-(4-methylphenyl)propan-2-yl]morpholine?
The canonical SMILES for ethane;4-[1-(4-methylphenyl)propan-2-yl]morpholine is CC.Cc1ccc(CC(C)N2CCOCC2)cc1.
What is the InChIKey of ethane;4-[1-(4-methylphenyl)propan-2-yl]morpholine?
The InChIKey is DDFCHEPTDDNWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO.C2H6/c1-12-3-5-14(6-4-12)11-13(2)15-7-9-16-10-8-15;1-2/h3-6,13H,7-11H2,1-2H3;1-2H3.
What are the key properties of ethane;4-[1-(4-methylphenyl)propan-2-yl]morpholine?
ethane;4-[1-(4-methylphenyl)propan-2-yl]morpholine has a molecular weight of 249.40 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[1-(4-methylphenyl)propan-2-yl]morpholine is sourced from PubChem (CID 143833538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).