2-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]morpholine

C16H25NO — CID 116868516

IUPAC2-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]morpholine
SMILESCc1ccc(C(C)C)cc1CCC1CNCCO1
InChIInChI=1S/C16H25NO/c1-12(2)14-5-4-13(3)15(10-14)6-7-16-11-17-8-9-18-16/h4-5,10,12,16-17H,6-9,11H2,1-3H3
InChIKeyYXZNEKRDXCYAQX-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.04
Rot. Bonds4

About 2-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]morpholine

2-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]morpholine (PubChem CID 116868516) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]morpholine.

Molecular Properties

Compound Name2-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]morpholine
PubChem CID116868516
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]morpholine
SMILESCc1ccc(C(C)C)cc1CCC1CNCCO1
InChIInChI=1S/C16H25NO/c1-12(2)14-5-4-13(3)15(10-14)6-7-16-11-17-8-9-18-16/h4-5,10,12,16-17H,6-9,11H2,1-3H3
InChIKeyYXZNEKRDXCYAQX-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,2-dimethyl-N-(morpholin-2-ylmethyl)-5-propan-2-ylaniline
CID 115237568
2-[2-(5-chloro-2-fluorophenyl)ethyl]morpholine
CID 116868519
3-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine
CID 82495631
1-methyl-2-(2-phenylethyl)-4-propan-2-ylbenzene
CID 142112281
N-methyl-1-(2-methyl-5-propan-2-ylphenyl)-1-morpholin-2-ylmethanamine
CID 116956461
2-[2-(2-chloro-4-methoxyphenyl)ethyl]morpholine
CID 116868512
N-[(5-bromo-2-methylphenyl)methyl]-N-methyl-2-morpholin-2-ylethanamine
CID 115239238
N-(morpholin-2-ylmethyl)-4-propan-2-ylpyridin-2-amine
CID 130369631
1-(3,4-dimethylphenyl)-N-methyl-2-morpholin-2-ylethanamine
CID 116956830
2-[2-(4-tert-butylphenyl)ethyl]morpholine
CID 83652133
N-(morpholin-2-ylmethyl)-4-propan-2-ylbenzenesulfonamide
CID 115323924
ethene;molecular hydrogen;2-[2-[(2R)-morpholin-2-yl]ethyl]aniline
CID 144589175

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]morpholine?
The IUPAC name of 2-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]morpholine (CID 116868516) is 2-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]morpholine.
What is the SMILES notation for 2-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]morpholine?
The canonical SMILES for 2-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]morpholine is Cc1ccc(C(C)C)cc1CCC1CNCCO1.
What is the InChIKey of 2-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]morpholine?
The InChIKey is YXZNEKRDXCYAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(2)14-5-4-13(3)15(10-14)6-7-16-11-17-8-9-18-16/h4-5,10,12,16-17H,6-9,11H2,1-3H3.
What are the key properties of 2-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]morpholine?
2-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]morpholine has a molecular weight of 247.38 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]morpholine is sourced from PubChem (CID 116868516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).