4-(1-butyl-4-methyl-5-phenylpyrrol-2-yl)morpholine

C19H26N2O — CID 12669814

IUPAC4-(1-butyl-4-methyl-5-phenylpyrrol-2-yl)morpholine
SMILESCCCCn1c(N2CCOCC2)cc(C)c1-c1ccccc1
InChIInChI=1S/C19H26N2O/c1-3-4-10-21-18(20-11-13-22-14-12-20)15-16(2)19(21)17-8-6-5-7-9-17/h5-9,15H,3-4,10-14H2,1-2H3
InChIKeyFMEUFXMPARTDHS-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.10
Rot. Bonds5

About 4-(1-butyl-4-methyl-5-phenylpyrrol-2-yl)morpholine

4-(1-butyl-4-methyl-5-phenylpyrrol-2-yl)morpholine (PubChem CID 12669814) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-(1-butyl-4-methyl-5-phenylpyrrol-2-yl)morpholine.

Molecular Properties

Compound Name4-(1-butyl-4-methyl-5-phenylpyrrol-2-yl)morpholine
PubChem CID12669814
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name4-(1-butyl-4-methyl-5-phenylpyrrol-2-yl)morpholine
SMILESCCCCn1c(N2CCOCC2)cc(C)c1-c1ccccc1
InChIInChI=1S/C19H26N2O/c1-3-4-10-21-18(20-11-13-22-14-12-20)15-16(2)19(21)17-8-6-5-7-9-17/h5-9,15H,3-4,10-14H2,1-2H3
InChIKeyFMEUFXMPARTDHS-UHFFFAOYSA-N
XLogP4.10
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 57179442
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5-butyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-3-carboxamide
CID 3861344
1,1'-biphenyl;ethane;4-phenylmorpholine;toluene
CID 158356993
N,N-dibutylaniline;4-phenylmorpholine
CID 159818534
1-butyl-4-(2-morpholin-4-yl-2-oxoethyl)quinoxaline-2,3-dione
CID 46786299
3-butyl-6-ethyl-2-morpholin-4-ylpyrimidin-4-one
CID 53201010
N-[(3-butyl-5-chloro-2-phenylimidazol-4-yl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]methanamine
CID 18438442
4-ethylmorpholine;1-methyl-4-phenylbenzene
CID 144997146
1-ethyl-6-(1-methyl-5-phenylpyrazol-4-yl)-4-morpholin-4-ylquinolin-2-one
CID 134537260
1-butyl-3-methyl-N-(4-morpholin-4-ylphenyl)indole-2-carboxamide
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1-butyl-3-nitroso-2-phenylindole
CID 155676886

Frequently Asked Questions

What is the IUPAC name of 4-(1-butyl-4-methyl-5-phenylpyrrol-2-yl)morpholine?
The IUPAC name of 4-(1-butyl-4-methyl-5-phenylpyrrol-2-yl)morpholine (CID 12669814) is 4-(1-butyl-4-methyl-5-phenylpyrrol-2-yl)morpholine.
What is the SMILES notation for 4-(1-butyl-4-methyl-5-phenylpyrrol-2-yl)morpholine?
The canonical SMILES for 4-(1-butyl-4-methyl-5-phenylpyrrol-2-yl)morpholine is CCCCn1c(N2CCOCC2)cc(C)c1-c1ccccc1.
What is the InChIKey of 4-(1-butyl-4-methyl-5-phenylpyrrol-2-yl)morpholine?
The InChIKey is FMEUFXMPARTDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-3-4-10-21-18(20-11-13-22-14-12-20)15-16(2)19(21)17-8-6-5-7-9-17/h5-9,15H,3-4,10-14H2,1-2H3.
What are the key properties of 4-(1-butyl-4-methyl-5-phenylpyrrol-2-yl)morpholine?
4-(1-butyl-4-methyl-5-phenylpyrrol-2-yl)morpholine has a molecular weight of 298.43 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-butyl-4-methyl-5-phenylpyrrol-2-yl)morpholine is sourced from PubChem (CID 12669814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).