4-[1-[4-(4,5-dimethylpyridazin-3-yl)phenyl]ethyl]morpholine

C18H23N3O — CID 163314713

IUPAC4-[1-[4-(4,5-dimethylpyridazin-3-yl)phenyl]ethyl]morpholine
SMILESCc1cnnc(-c2ccc(C(C)N3CCOCC3)cc2)c1C
InChIInChI=1S/C18H23N3O/c1-13-12-19-20-18(14(13)2)17-6-4-16(5-7-17)15(3)21-8-10-22-11-9-21/h4-7,12,15H,8-11H2,1-3H3
InChIKeyZKSBKIVNKRUXNX-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.15
Rot. Bonds3

About 4-[1-[4-(4,5-dimethylpyridazin-3-yl)phenyl]ethyl]morpholine

4-[1-[4-(4,5-dimethylpyridazin-3-yl)phenyl]ethyl]morpholine (PubChem CID 163314713) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-[1-[4-(4,5-dimethylpyridazin-3-yl)phenyl]ethyl]morpholine.

Molecular Properties

Compound Name4-[1-[4-(4,5-dimethylpyridazin-3-yl)phenyl]ethyl]morpholine
PubChem CID163314713
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name4-[1-[4-(4,5-dimethylpyridazin-3-yl)phenyl]ethyl]morpholine
SMILESCc1cnnc(-c2ccc(C(C)N3CCOCC3)cc2)c1C
InChIInChI=1S/C18H23N3O/c1-13-12-19-20-18(14(13)2)17-6-4-16(5-7-17)15(3)21-8-10-22-11-9-21/h4-7,12,15H,8-11H2,1-3H3
InChIKeyZKSBKIVNKRUXNX-UHFFFAOYSA-N
XLogP3.15
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1R)-1-[4-(2,6-dimethyl-4-pyridinyl)phenyl]ethyl]morpholine
CID 125442567
4-[(1S)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]morpholine
CID 126430266
4-[(1R)-1-[4-(6-methylpyrazino[2,3-b]pyrazin-2-yl)phenyl]ethyl]morpholine
CID 126441384
4-(1-morpholin-4-ylethyl)aniline
CID 50987527
4-[(1S)-1-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]ethyl]morpholine
CID 126434299
6-[4-(1-morpholin-4-ylethyl)phenyl]pyridazine-3-carboxylic acid
CID 122563480
7,16-bis[(1R)-1-phenylethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 12990897
4-(1-phenylethyl)morpholine;hydrochloride
CID 3057369
4-[(1S)-1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]ethyl]morpholine
CID 95226633
4-[(1S)-1-[4-(2-ethyl-1,2,4-triazol-3-yl)phenyl]ethyl]morpholine
CID 126444550
4-[(1R)-1-[4-(5-propyl-1,3,4-thiadiazol-2-yl)phenyl]ethyl]morpholine
CID 126437472
N-[5-[4-(1-morpholin-4-ylethyl)phenyl]-2-pyridinyl]acetamide
CID 50976257

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(4,5-dimethylpyridazin-3-yl)phenyl]ethyl]morpholine?
The IUPAC name of 4-[1-[4-(4,5-dimethylpyridazin-3-yl)phenyl]ethyl]morpholine (CID 163314713) is 4-[1-[4-(4,5-dimethylpyridazin-3-yl)phenyl]ethyl]morpholine.
What is the SMILES notation for 4-[1-[4-(4,5-dimethylpyridazin-3-yl)phenyl]ethyl]morpholine?
The canonical SMILES for 4-[1-[4-(4,5-dimethylpyridazin-3-yl)phenyl]ethyl]morpholine is Cc1cnnc(-c2ccc(C(C)N3CCOCC3)cc2)c1C.
What is the InChIKey of 4-[1-[4-(4,5-dimethylpyridazin-3-yl)phenyl]ethyl]morpholine?
The InChIKey is ZKSBKIVNKRUXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-13-12-19-20-18(14(13)2)17-6-4-16(5-7-17)15(3)21-8-10-22-11-9-21/h4-7,12,15H,8-11H2,1-3H3.
What are the key properties of 4-[1-[4-(4,5-dimethylpyridazin-3-yl)phenyl]ethyl]morpholine?
4-[1-[4-(4,5-dimethylpyridazin-3-yl)phenyl]ethyl]morpholine has a molecular weight of 297.40 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(4,5-dimethylpyridazin-3-yl)phenyl]ethyl]morpholine is sourced from PubChem (CID 163314713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).