4-(3-chloro-4-propan-2-ylphenyl)morpholine

C13H18ClNO — CID 71182056

IUPAC4-(3-chloro-4-propan-2-ylphenyl)morpholine
SMILESCC(C)c1ccc(N2CCOCC2)cc1Cl
InChIInChI=1S/C13H18ClNO/c1-10(2)12-4-3-11(9-13(12)14)15-5-7-16-8-6-15/h3-4,9-10H,5-8H2,1-2H3
InChIKeyHDQWVRLHVUWSAJ-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.30
Rot. Bonds2

About 4-(3-chloro-4-propan-2-ylphenyl)morpholine

4-(3-chloro-4-propan-2-ylphenyl)morpholine (PubChem CID 71182056) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 4-(3-chloro-4-propan-2-ylphenyl)morpholine.

Molecular Properties

Compound Name4-(3-chloro-4-propan-2-ylphenyl)morpholine
PubChem CID71182056
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name4-(3-chloro-4-propan-2-ylphenyl)morpholine
SMILESCC(C)c1ccc(N2CCOCC2)cc1Cl
InChIInChI=1S/C13H18ClNO/c1-10(2)12-4-3-11(9-13(12)14)15-5-7-16-8-6-15/h3-4,9-10H,5-8H2,1-2H3
InChIKeyHDQWVRLHVUWSAJ-UHFFFAOYSA-N
XLogP3.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-morpholinoacetamide
CID 412741
N,N-dimethyl-4-(2-morpholin-4-ylethyl)aniline
CID 3830898
4-[4-(2,3-Dichlorophenyl)phenyl]morpholine
CID 46226403
2-Chloro-6-morpholin-4-ylbenzonitrile
CID 2804371
4-[4-(1-Propylpiperidin-4-yl)phenyl]morpholine
CID 57387304
2-[4-[[4-[bis(2-hydroxyethyl)amino]-2-chlorophenyl]-(2-chlorophenyl)methyl]-3-chloro-N-(2-hydroxyethyl)anilino]ethanol
CID 2827046
4-(3-Chlorophenyl)morpholine
CID 11171600
3-Chloro-4-((morpholin-4-yl)methyl)aniline
CID 28721838
4-(4-(Chloromethyl)phenyl)morpholine hydrochloride
CID 132342104
2-Chloro-4-[2-(methoxymethyl)morpholin-4-yl]benzonitrile
CID 71996197
N-(4-t-Butylphenyl) Morpholine
CID 11106869
Benzonitrile, 2-chloro-5-fluoro-4-morpholin-4-yl-
CID 729490

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-propan-2-ylphenyl)morpholine?
The IUPAC name of 4-(3-chloro-4-propan-2-ylphenyl)morpholine (CID 71182056) is 4-(3-chloro-4-propan-2-ylphenyl)morpholine.
What is the SMILES notation for 4-(3-chloro-4-propan-2-ylphenyl)morpholine?
The canonical SMILES for 4-(3-chloro-4-propan-2-ylphenyl)morpholine is CC(C)c1ccc(N2CCOCC2)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-propan-2-ylphenyl)morpholine?
The InChIKey is HDQWVRLHVUWSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-10(2)12-4-3-11(9-13(12)14)15-5-7-16-8-6-15/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 4-(3-chloro-4-propan-2-ylphenyl)morpholine?
4-(3-chloro-4-propan-2-ylphenyl)morpholine has a molecular weight of 239.75 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-propan-2-ylphenyl)morpholine is sourced from PubChem (CID 71182056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).