1-[(2,5-dimethylpyrrol-1-yl)amino]-3-(4-methoxyphenoxy)propan-2-ol

C16H22N2O3 — CID 79108175

IUPAC1-[(2,5-dimethylpyrrol-1-yl)amino]-3-(4-methoxyphenoxy)propan-2-ol
SMILESCOc1ccc(OCC(O)CNn2c(C)ccc2C)cc1
InChIInChI=1S/C16H22N2O3/c1-12-4-5-13(2)18(12)17-10-14(19)11-21-16-8-6-15(20-3)7-9-16/h4-9,14,17,19H,10-11H2,1-3H3
InChIKeyWLHJIFXGAHEFHO-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.10
Rot. Bonds7

About 1-[(2,5-dimethylpyrrol-1-yl)amino]-3-(4-methoxyphenoxy)propan-2-ol

1-[(2,5-dimethylpyrrol-1-yl)amino]-3-(4-methoxyphenoxy)propan-2-ol (PubChem CID 79108175) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[(2,5-dimethylpyrrol-1-yl)amino]-3-(4-methoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(2,5-dimethylpyrrol-1-yl)amino]-3-(4-methoxyphenoxy)propan-2-ol
PubChem CID79108175
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[(2,5-dimethylpyrrol-1-yl)amino]-3-(4-methoxyphenoxy)propan-2-ol
SMILESCOc1ccc(OCC(O)CNn2c(C)ccc2C)cc1
InChIInChI=1S/C16H22N2O3/c1-12-4-5-13(2)18(12)17-10-14(19)11-21-16-8-6-15(20-3)7-9-16/h4-9,14,17,19H,10-11H2,1-3H3
InChIKeyWLHJIFXGAHEFHO-UHFFFAOYSA-N
XLogP2.10
TPSA55.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyanilino)-3-(4-methoxyphenoxy)propan-2-ol
CID 16800318
1-anilino-3-(4-methoxyphenoxy)propan-2-ol
CID 45153561
1-[(2,5-dimethylpyrrol-1-yl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 79101367
1-(4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 559347
1-[(2,5-dimethylpyrrol-1-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 79101281
methyl 2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]acetate
CID 60904602
1-(4-methoxyphenoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 60635112
N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide
CID 6930429
(2S)-1-(4-methoxyphenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 7025078
4-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]butan-2-ol
CID 64913738
1-(but-2-ynylamino)-3-(4-methoxyphenoxy)propan-2-ol
CID 113464600
3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2,3-dimethylbutan-2-ol
CID 103993390

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylpyrrol-1-yl)amino]-3-(4-methoxyphenoxy)propan-2-ol?
The IUPAC name of 1-[(2,5-dimethylpyrrol-1-yl)amino]-3-(4-methoxyphenoxy)propan-2-ol (CID 79108175) is 1-[(2,5-dimethylpyrrol-1-yl)amino]-3-(4-methoxyphenoxy)propan-2-ol.
What is the SMILES notation for 1-[(2,5-dimethylpyrrol-1-yl)amino]-3-(4-methoxyphenoxy)propan-2-ol?
The canonical SMILES for 1-[(2,5-dimethylpyrrol-1-yl)amino]-3-(4-methoxyphenoxy)propan-2-ol is COc1ccc(OCC(O)CNn2c(C)ccc2C)cc1.
What is the InChIKey of 1-[(2,5-dimethylpyrrol-1-yl)amino]-3-(4-methoxyphenoxy)propan-2-ol?
The InChIKey is WLHJIFXGAHEFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12-4-5-13(2)18(12)17-10-14(19)11-21-16-8-6-15(20-3)7-9-16/h4-9,14,17,19H,10-11H2,1-3H3.
What are the key properties of 1-[(2,5-dimethylpyrrol-1-yl)amino]-3-(4-methoxyphenoxy)propan-2-ol?
1-[(2,5-dimethylpyrrol-1-yl)amino]-3-(4-methoxyphenoxy)propan-2-ol has a molecular weight of 290.36 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylpyrrol-1-yl)amino]-3-(4-methoxyphenoxy)propan-2-ol is sourced from PubChem (CID 79108175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).