4-[3,3-dimethyl-5-[5-(2-phenylethyl)thiophen-2-yl]pentyl]morpholine

C23H33NOS — CID 10714298

IUPAC4-[3,3-dimethyl-5-[5-(2-phenylethyl)thiophen-2-yl]pentyl]morpholine
SMILESCC(C)(CCc1ccc(CCc2ccccc2)s1)CCN1CCOCC1
InChIInChI=1S/C23H33NOS/c1-23(2,14-15-24-16-18-25-19-17-24)13-12-22-11-10-21(26-22)9-8-20-6-4-3-5-7-20/h3-7,10-11H,8-9,12-19H2,1-2H3
InChIKeyJCTAHKOHRAMTHX-UHFFFAOYSA-N
MW371.59 g/mol
LogP5.21
Rot. Bonds9

About 4-[3,3-dimethyl-5-[5-(2-phenylethyl)thiophen-2-yl]pentyl]morpholine

4-[3,3-dimethyl-5-[5-(2-phenylethyl)thiophen-2-yl]pentyl]morpholine (PubChem CID 10714298) has the molecular formula C23H33NOS and a molecular weight of 371.59 g/mol. Its IUPAC name is 4-[3,3-dimethyl-5-[5-(2-phenylethyl)thiophen-2-yl]pentyl]morpholine.

Molecular Properties

Compound Name4-[3,3-dimethyl-5-[5-(2-phenylethyl)thiophen-2-yl]pentyl]morpholine
PubChem CID10714298
Molecular FormulaC23H33NOS
Molecular Weight371.59 g/mol
Exact Mass371.23
IUPAC Name4-[3,3-dimethyl-5-[5-(2-phenylethyl)thiophen-2-yl]pentyl]morpholine
SMILESCC(C)(CCc1ccc(CCc2ccccc2)s1)CCN1CCOCC1
InChIInChI=1S/C23H33NOS/c1-23(2,14-15-24-16-18-25-19-17-24)13-12-22-11-10-21(26-22)9-8-20-6-4-3-5-7-20/h3-7,10-11H,8-9,12-19H2,1-2H3
InChIKeyJCTAHKOHRAMTHX-UHFFFAOYSA-N
XLogP5.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.59
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[3,3-dimethyl-5-[5-(2-phenylethyl)thiophen-2-yl]pentyl]morpholine with MolForge

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Related Compounds

2-tert-butyl-4-[3-[5-(3,3-dimethyl-5-morpholin-4-ylpentyl)thiophen-2-yl]propyl]phenol
CID 10527843
methane;4-(2-phenylethyl)morpholine
CID 143698819
2-benzylsulfanyl-2-methyl-4-morpholin-4-ylbutan-1-amine
CID 57475980
1-(4-tert-butylphenyl)-4-morpholin-4-yl-2-phenylbutan-2-ol
CID 134093965
3-morpholin-4-yl-N-(2-phenylethyl)propanamide
CID 779164
1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 113073687
2-morpholin-4-ylethyl N-tert-butyl-N-(2-phenylethyl)carbamate
CID 175010495
2-methyl-1-(2-morpholin-4-ylethyl)-3-(2-phenylethyl)guanidine
CID 111022923
1-morpholin-4-yl-2-phenylpropan-2-amine
CID 62489522
7,16-bis[12-(16-benzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)dodecyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 10418954
4-[2-[4-(1-phenylpropan-2-yl)piperazin-1-yl]ethyl]morpholine
CID 123753899
2-(4-chlorophenyl)-4-morpholin-4-yl-1-phenylbutan-2-ol
CID 23940284

Frequently Asked Questions

What is the IUPAC name of 4-[3,3-dimethyl-5-[5-(2-phenylethyl)thiophen-2-yl]pentyl]morpholine?
The IUPAC name of 4-[3,3-dimethyl-5-[5-(2-phenylethyl)thiophen-2-yl]pentyl]morpholine (CID 10714298) is 4-[3,3-dimethyl-5-[5-(2-phenylethyl)thiophen-2-yl]pentyl]morpholine.
What is the SMILES notation for 4-[3,3-dimethyl-5-[5-(2-phenylethyl)thiophen-2-yl]pentyl]morpholine?
The canonical SMILES for 4-[3,3-dimethyl-5-[5-(2-phenylethyl)thiophen-2-yl]pentyl]morpholine is CC(C)(CCc1ccc(CCc2ccccc2)s1)CCN1CCOCC1.
What is the InChIKey of 4-[3,3-dimethyl-5-[5-(2-phenylethyl)thiophen-2-yl]pentyl]morpholine?
The InChIKey is JCTAHKOHRAMTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NOS/c1-23(2,14-15-24-16-18-25-19-17-24)13-12-22-11-10-21(26-22)9-8-20-6-4-3-5-7-20/h3-7,10-11H,8-9,12-19H2,1-2H3.
What are the key properties of 4-[3,3-dimethyl-5-[5-(2-phenylethyl)thiophen-2-yl]pentyl]morpholine?
4-[3,3-dimethyl-5-[5-(2-phenylethyl)thiophen-2-yl]pentyl]morpholine has a molecular weight of 371.59 g/mol, XLogP of 5.21, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,3-dimethyl-5-[5-(2-phenylethyl)thiophen-2-yl]pentyl]morpholine is sourced from PubChem (CID 10714298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).