2-[2-(4-tert-butylphenyl)ethyl]morpholine

C16H25NO — CID 83652133

IUPAC2-[2-(4-tert-butylphenyl)ethyl]morpholine
SMILESCC(C)(C)c1ccc(CCC2CNCCO2)cc1
InChIInChI=1S/C16H25NO/c1-16(2,3)14-7-4-13(5-8-14)6-9-15-12-17-10-11-18-15/h4-5,7-8,15,17H,6,9-12H2,1-3H3
InChIKeyIWEPZVBVUDQYHR-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.91
Rot. Bonds3

About 2-[2-(4-tert-butylphenyl)ethyl]morpholine

2-[2-(4-tert-butylphenyl)ethyl]morpholine (PubChem CID 83652133) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[2-(4-tert-butylphenyl)ethyl]morpholine.

Molecular Properties

Compound Name2-[2-(4-tert-butylphenyl)ethyl]morpholine
PubChem CID83652133
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[2-(4-tert-butylphenyl)ethyl]morpholine
SMILESCC(C)(C)c1ccc(CCC2CNCCO2)cc1
InChIInChI=1S/C16H25NO/c1-16(2,3)14-7-4-13(5-8-14)6-9-15-12-17-10-11-18-15/h4-5,7-8,15,17H,6,9-12H2,1-3H3
InChIKeyIWEPZVBVUDQYHR-UHFFFAOYSA-N
XLogP2.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]morpholine
CID 116868530
2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]morpholine
CID 116969136
2-[2-(3H-benzimidazol-5-yl)ethyl]morpholine
CID 116868529
2-(4-ethylphenyl)-N-(morpholin-2-ylmethyl)ethanamine
CID 115237698
6-(2-morpholin-2-ylethyl)-4H-1,4-benzoxazin-3-one
CID 116868515
2-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]morpholine
CID 116868516
[4-(morpholin-2-ylmethyl)phenyl]methanamine
CID 174949580
(2S)-2-[[4-[[(2S)-morpholin-2-yl]methoxymethyl]phenyl]methoxymethyl]morpholine
CID 170603335
2-[(4-bromophenyl)methyl]morpholine
CID 66730468
2,6-ditert-butyl-4-(morpholin-2-ylmethyl)phenol
CID 88670250
2-[2-(5-chloro-2-fluorophenyl)ethyl]morpholine
CID 116868519
2-morpholin-2-ylethanol;toluene
CID 118211589

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-tert-butylphenyl)ethyl]morpholine?
The IUPAC name of 2-[2-(4-tert-butylphenyl)ethyl]morpholine (CID 83652133) is 2-[2-(4-tert-butylphenyl)ethyl]morpholine.
What is the SMILES notation for 2-[2-(4-tert-butylphenyl)ethyl]morpholine?
The canonical SMILES for 2-[2-(4-tert-butylphenyl)ethyl]morpholine is CC(C)(C)c1ccc(CCC2CNCCO2)cc1.
What is the InChIKey of 2-[2-(4-tert-butylphenyl)ethyl]morpholine?
The InChIKey is IWEPZVBVUDQYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-16(2,3)14-7-4-13(5-8-14)6-9-15-12-17-10-11-18-15/h4-5,7-8,15,17H,6,9-12H2,1-3H3.
What are the key properties of 2-[2-(4-tert-butylphenyl)ethyl]morpholine?
2-[2-(4-tert-butylphenyl)ethyl]morpholine has a molecular weight of 247.38 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-tert-butylphenyl)ethyl]morpholine is sourced from PubChem (CID 83652133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).