4-[(2,3-dimethylimidazol-4-yl)methyl]-2-(3-phenylpropyl)morpholine

C19H27N3O — CID 45245084

IUPAC4-[(2,3-dimethylimidazol-4-yl)methyl]-2-(3-phenylpropyl)morpholine
SMILESCc1ncc(CN2CCOC(CCCc3ccccc3)C2)n1C
InChIInChI=1S/C19H27N3O/c1-16-20-13-18(21(16)2)14-22-11-12-23-19(15-22)10-6-9-17-7-4-3-5-8-17/h3-5,7-8,13,19H,6,9-12,14-15H2,1-2H3
InChIKeyFYZLKBRAPWIUSC-UHFFFAOYSA-N
MW313.44 g/mol
LogP2.95
Rot. Bonds6

About 4-[(2,3-dimethylimidazol-4-yl)methyl]-2-(3-phenylpropyl)morpholine

4-[(2,3-dimethylimidazol-4-yl)methyl]-2-(3-phenylpropyl)morpholine (PubChem CID 45245084) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is 4-[(2,3-dimethylimidazol-4-yl)methyl]-2-(3-phenylpropyl)morpholine.

Molecular Properties

Compound Name4-[(2,3-dimethylimidazol-4-yl)methyl]-2-(3-phenylpropyl)morpholine
PubChem CID45245084
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name4-[(2,3-dimethylimidazol-4-yl)methyl]-2-(3-phenylpropyl)morpholine
SMILESCc1ncc(CN2CCOC(CCCc3ccccc3)C2)n1C
InChIInChI=1S/C19H27N3O/c1-16-20-13-18(21(16)2)14-22-11-12-23-19(15-22)10-6-9-17-7-4-3-5-8-17/h3-5,7-8,13,19H,6,9-12,14-15H2,1-2H3
InChIKeyFYZLKBRAPWIUSC-UHFFFAOYSA-N
XLogP2.95
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-[(2,3-dimethylimidazol-4-yl)methyl]-2-(4-methylpentyl)morpholine
CID 42530239
2-[(2,3-dimethylimidazol-4-yl)methyl]-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decane
CID 45208898
3-(4-benzylmorpholin-2-yl)propan-1-ol
CID 23079673
2-benzyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine
CID 126784932
2-ethyl-4-(2-phenylethyl)morpholine
CID 59586000
(2R)-2-(2-phenylethyl)-4-(thiophen-2-ylmethyl)morpholine
CID 28767913
2-(4-benzylmorpholin-2-yl)ethanamine;dihydrochloride
CID 102594221
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231
ethyl 4-[3-(4-benzylmorpholin-2-yl)propoxy]benzoate;hydrochloride
CID 19983193
3-(1-methylpyrazol-4-yl)-1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]propan-1-one
CID 26317752
4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(2-phenylethyl)morpholine
CID 56877602
(2R)-4-benzyl-2-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]morpholine
CID 25499114

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethylimidazol-4-yl)methyl]-2-(3-phenylpropyl)morpholine?
The IUPAC name of 4-[(2,3-dimethylimidazol-4-yl)methyl]-2-(3-phenylpropyl)morpholine (CID 45245084) is 4-[(2,3-dimethylimidazol-4-yl)methyl]-2-(3-phenylpropyl)morpholine.
What is the SMILES notation for 4-[(2,3-dimethylimidazol-4-yl)methyl]-2-(3-phenylpropyl)morpholine?
The canonical SMILES for 4-[(2,3-dimethylimidazol-4-yl)methyl]-2-(3-phenylpropyl)morpholine is Cc1ncc(CN2CCOC(CCCc3ccccc3)C2)n1C.
What is the InChIKey of 4-[(2,3-dimethylimidazol-4-yl)methyl]-2-(3-phenylpropyl)morpholine?
The InChIKey is FYZLKBRAPWIUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-16-20-13-18(21(16)2)14-22-11-12-23-19(15-22)10-6-9-17-7-4-3-5-8-17/h3-5,7-8,13,19H,6,9-12,14-15H2,1-2H3.
What are the key properties of 4-[(2,3-dimethylimidazol-4-yl)methyl]-2-(3-phenylpropyl)morpholine?
4-[(2,3-dimethylimidazol-4-yl)methyl]-2-(3-phenylpropyl)morpholine has a molecular weight of 313.44 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethylimidazol-4-yl)methyl]-2-(3-phenylpropyl)morpholine is sourced from PubChem (CID 45245084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).