4-[2-(2-chloro-5-methyl-4-propan-2-ylphenyl)ethyl]morpholine

C16H24ClNO — CID 135139224

IUPAC4-[2-(2-chloro-5-methyl-4-propan-2-ylphenyl)ethyl]morpholine
SMILESCc1cc(CCN2CCOCC2)c(Cl)cc1C(C)C
InChIInChI=1S/C16H24ClNO/c1-12(2)15-11-16(17)14(10-13(15)3)4-5-18-6-8-19-9-7-18/h10-12H,4-9H2,1-3H3
InChIKeyHMVWRTNNEIPSBO-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.65
Rot. Bonds4

About 4-[2-(2-chloro-5-methyl-4-propan-2-ylphenyl)ethyl]morpholine

4-[2-(2-chloro-5-methyl-4-propan-2-ylphenyl)ethyl]morpholine (PubChem CID 135139224) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 4-[2-(2-chloro-5-methyl-4-propan-2-ylphenyl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(2-chloro-5-methyl-4-propan-2-ylphenyl)ethyl]morpholine
PubChem CID135139224
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name4-[2-(2-chloro-5-methyl-4-propan-2-ylphenyl)ethyl]morpholine
SMILESCc1cc(CCN2CCOCC2)c(Cl)cc1C(C)C
InChIInChI=1S/C16H24ClNO/c1-12(2)15-11-16(17)14(10-13(15)3)4-5-18-6-8-19-9-7-18/h10-12H,4-9H2,1-3H3
InChIKeyHMVWRTNNEIPSBO-UHFFFAOYSA-N
XLogP3.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine
CID 3386987
4-[(2-chloro-4-propan-2-ylphenyl)methyl]morpholine;ethane
CID 143579646
4-[2-(5-chloro-2-ethoxyphenyl)ethyl]morpholine;methanamine
CID 177027735
3-chloro-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 28568493
4-[2-(2,6-dimethyl-4-propan-2-ylphenoxy)ethyl]morpholine
CID 20871910
4-[2-[2-(chloromethyl)phenyl]ethyl]morpholine
CID 174531973
4-[3-(4-propan-2-ylphenyl)propyl]morpholine
CID 146185786
1-(2,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 43079142
4-chloro-3,5-dimethyl-2-(3-morpholin-4-ylpropyl)phenol
CID 170869854
4-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]morpholine
CID 869403
4-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]morpholine
CID 872206
4-[[4-[3-[4-(morpholin-4-ylmethyl)-2,6-di(propan-2-yl)phenyl]imidazolidin-1-yl]-3,5-di(propan-2-yl)phenyl]methyl]morpholine
CID 140615553

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chloro-5-methyl-4-propan-2-ylphenyl)ethyl]morpholine?
The IUPAC name of 4-[2-(2-chloro-5-methyl-4-propan-2-ylphenyl)ethyl]morpholine (CID 135139224) is 4-[2-(2-chloro-5-methyl-4-propan-2-ylphenyl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(2-chloro-5-methyl-4-propan-2-ylphenyl)ethyl]morpholine?
The canonical SMILES for 4-[2-(2-chloro-5-methyl-4-propan-2-ylphenyl)ethyl]morpholine is Cc1cc(CCN2CCOCC2)c(Cl)cc1C(C)C.
What is the InChIKey of 4-[2-(2-chloro-5-methyl-4-propan-2-ylphenyl)ethyl]morpholine?
The InChIKey is HMVWRTNNEIPSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-12(2)15-11-16(17)14(10-13(15)3)4-5-18-6-8-19-9-7-18/h10-12H,4-9H2,1-3H3.
What are the key properties of 4-[2-(2-chloro-5-methyl-4-propan-2-ylphenyl)ethyl]morpholine?
4-[2-(2-chloro-5-methyl-4-propan-2-ylphenyl)ethyl]morpholine has a molecular weight of 281.83 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chloro-5-methyl-4-propan-2-ylphenyl)ethyl]morpholine is sourced from PubChem (CID 135139224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).