4-[(2-chloro-4-propan-2-ylphenyl)methyl]morpholine;ethane

C16H26ClNO — CID 143579646

IUPAC4-[(2-chloro-4-propan-2-ylphenyl)methyl]morpholine;ethane
SMILESCC.CC(C)c1ccc(CN2CCOCC2)c(Cl)c1
InChIInChI=1S/C14H20ClNO.C2H6/c1-11(2)12-3-4-13(14(15)9-12)10-16-5-7-17-8-6-16;1-2/h3-4,9,11H,5-8,10H2,1-2H3;1-2H3
InChIKeyOVTPTWKGBQFGSK-UHFFFAOYSA-N
MW283.84 g/mol
LogP4.32
Rot. Bonds3

About 4-[(2-chloro-4-propan-2-ylphenyl)methyl]morpholine;ethane

4-[(2-chloro-4-propan-2-ylphenyl)methyl]morpholine;ethane (PubChem CID 143579646) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 4-[(2-chloro-4-propan-2-ylphenyl)methyl]morpholine;ethane.

Molecular Properties

Compound Name4-[(2-chloro-4-propan-2-ylphenyl)methyl]morpholine;ethane
PubChem CID143579646
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name4-[(2-chloro-4-propan-2-ylphenyl)methyl]morpholine;ethane
SMILESCC.CC(C)c1ccc(CN2CCOCC2)c(Cl)c1
InChIInChI=1S/C14H20ClNO.C2H6/c1-11(2)12-3-4-13(14(15)9-12)10-16-5-7-17-8-6-16;1-2/h3-4,9,11H,5-8,10H2,1-2H3;1-2H3
InChIKeyOVTPTWKGBQFGSK-UHFFFAOYSA-N
XLogP4.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-chloro-4-ethylsulfanylphenyl)methyl]morpholine
CID 91405859
3-amino-3-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]propanoic acid
CID 117481323
methyl 3-chloro-4-(morpholin-4-ylmethyl)benzoate
CID 67335502
2,6-bis(morpholin-4-ylmethyl)-4-propan-2-ylphenol
CID 3338042
1-[[2-chloro-4-(1-fluoroethyl)phenyl]methyl]piperazine
CID 117395462
1-[[3-chloro-4-(morpholin-4-ylmethyl)phenyl]methyl]cyclopropan-1-amine
CID 117450919
4-[[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]methyl]morpholine
CID 60503695
2-amino-1-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]ethanone
CID 117425550
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 86788739
4-[[2-chloro-4-(dimethylsulfamoylamino)phenyl]methyl]morpholine
CID 110664361
N-[(2,4-dichlorophenyl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 43675759
2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]propanoic acid
CID 117421534

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-4-propan-2-ylphenyl)methyl]morpholine;ethane?
The IUPAC name of 4-[(2-chloro-4-propan-2-ylphenyl)methyl]morpholine;ethane (CID 143579646) is 4-[(2-chloro-4-propan-2-ylphenyl)methyl]morpholine;ethane.
What is the SMILES notation for 4-[(2-chloro-4-propan-2-ylphenyl)methyl]morpholine;ethane?
The canonical SMILES for 4-[(2-chloro-4-propan-2-ylphenyl)methyl]morpholine;ethane is CC.CC(C)c1ccc(CN2CCOCC2)c(Cl)c1.
What is the InChIKey of 4-[(2-chloro-4-propan-2-ylphenyl)methyl]morpholine;ethane?
The InChIKey is OVTPTWKGBQFGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO.C2H6/c1-11(2)12-3-4-13(14(15)9-12)10-16-5-7-17-8-6-16;1-2/h3-4,9,11H,5-8,10H2,1-2H3;1-2H3.
What are the key properties of 4-[(2-chloro-4-propan-2-ylphenyl)methyl]morpholine;ethane?
4-[(2-chloro-4-propan-2-ylphenyl)methyl]morpholine;ethane has a molecular weight of 283.84 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-4-propan-2-ylphenyl)methyl]morpholine;ethane is sourced from PubChem (CID 143579646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).