4-(3-chloro-4-ethylphenyl)morpholine

C12H16ClNO — CID 22891661

IUPAC4-(3-chloro-4-ethylphenyl)morpholine
SMILESCCc1ccc(N2CCOCC2)cc1Cl
InChIInChI=1S/C12H16ClNO/c1-2-10-3-4-11(9-12(10)13)14-5-7-15-8-6-14/h3-4,9H,2,5-8H2,1H3
InChIKeyCATAFLCKTWCYMJ-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.74
Rot. Bonds2

About 4-(3-chloro-4-ethylphenyl)morpholine

4-(3-chloro-4-ethylphenyl)morpholine (PubChem CID 22891661) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 4-(3-chloro-4-ethylphenyl)morpholine.

Molecular Properties

Compound Name4-(3-chloro-4-ethylphenyl)morpholine
PubChem CID22891661
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name4-(3-chloro-4-ethylphenyl)morpholine
SMILESCCc1ccc(N2CCOCC2)cc1Cl
InChIInChI=1S/C12H16ClNO/c1-2-10-3-4-11(9-12(10)13)14-5-7-15-8-6-14/h3-4,9H,2,5-8H2,1H3
InChIKeyCATAFLCKTWCYMJ-UHFFFAOYSA-N
XLogP2.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-2-methylphenyl)-3-morpholin-4-ylpropanamide
CID 882910
N-(3-chloro-4-methylphenyl)-2-morpholinoacetamide
CID 412741
4-(p-Tolyl)morpholine
CID 766255
N-(3-chloro-4-methylphenyl)morpholine-4-sulfonamide
CID 2985823
4-(3-chloro-4-methylphenyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 700113
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-(3-Chlorophenyl)morpholine
CID 11171600
2-(Piperidin-1-yl)ethyl hydrogen (3-chloro-4-methylphenyl)carbonimidate--hydrogen chloride (1/1)
CID 30017
4-Chloro-3-[(morpholin-4-yl)methyl]aniline
CID 17756286
3-Chloro-4-((morpholin-4-yl)methyl)aniline
CID 28721838

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-ethylphenyl)morpholine?
The IUPAC name of 4-(3-chloro-4-ethylphenyl)morpholine (CID 22891661) is 4-(3-chloro-4-ethylphenyl)morpholine.
What is the SMILES notation for 4-(3-chloro-4-ethylphenyl)morpholine?
The canonical SMILES for 4-(3-chloro-4-ethylphenyl)morpholine is CCc1ccc(N2CCOCC2)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-ethylphenyl)morpholine?
The InChIKey is CATAFLCKTWCYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-2-10-3-4-11(9-12(10)13)14-5-7-15-8-6-14/h3-4,9H,2,5-8H2,1H3.
What are the key properties of 4-(3-chloro-4-ethylphenyl)morpholine?
4-(3-chloro-4-ethylphenyl)morpholine has a molecular weight of 225.72 g/mol, XLogP of 2.74, 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-ethylphenyl)morpholine is sourced from PubChem (CID 22891661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).