1-(2,5-dimethylphenoxy)-3-(pyrrol-1-ylamino)propan-2-ol

C15H20N2O2 — CID 79100094

IUPAC1-(2,5-dimethylphenoxy)-3-(pyrrol-1-ylamino)propan-2-ol
SMILESCc1ccc(C)c(OCC(O)CNn2cccc2)c1
InChIInChI=1S/C15H20N2O2/c1-12-5-6-13(2)15(9-12)19-11-14(18)10-16-17-7-3-4-8-17/h3-9,14,16,18H,10-11H2,1-2H3
InChIKeyCYMAQLZQRMHDAY-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.09
Rot. Bonds6

About 1-(2,5-dimethylphenoxy)-3-(pyrrol-1-ylamino)propan-2-ol

1-(2,5-dimethylphenoxy)-3-(pyrrol-1-ylamino)propan-2-ol (PubChem CID 79100094) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(2,5-dimethylphenoxy)-3-(pyrrol-1-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2,5-dimethylphenoxy)-3-(pyrrol-1-ylamino)propan-2-ol
PubChem CID79100094
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-(2,5-dimethylphenoxy)-3-(pyrrol-1-ylamino)propan-2-ol
SMILESCc1ccc(C)c(OCC(O)CNn2cccc2)c1
InChIInChI=1S/C15H20N2O2/c1-12-5-6-13(2)15(9-12)19-11-14(18)10-16-17-7-3-4-8-17/h3-9,14,16,18H,10-11H2,1-2H3
InChIKeyCYMAQLZQRMHDAY-UHFFFAOYSA-N
XLogP2.09
TPSA46.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide
CID 60909776
1-(2,5-dimethylphenoxy)-3-(2-methoxypropylamino)propan-2-ol
CID 102697861
1-(2,5-dimethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 60632864
(2R)-1-(2,5-dimethylphenoxy)-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 7024944
1-(4-chloro-3-methylphenoxy)-3-(pyrrol-1-ylamino)propan-2-ol
CID 79101456
(2S)-1-chloro-3-(2,5-dimethylphenoxy)propan-2-ol
CID 101343601
[(2S)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-trimethylazanium
CID 6940353
1-(2,5-dimethylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol
CID 61463540
1-(cyclobutylamino)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 62415346
1-(2,5-dimethylphenoxy)-3-(4-fluoroanilino)propan-2-ol
CID 60898371
1-(2,5-dimethylphenoxy)-3-(4-methylpentylamino)propan-2-ol
CID 60745298
1-(1-cyclopropylethylamino)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 54938516

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenoxy)-3-(pyrrol-1-ylamino)propan-2-ol?
The IUPAC name of 1-(2,5-dimethylphenoxy)-3-(pyrrol-1-ylamino)propan-2-ol (CID 79100094) is 1-(2,5-dimethylphenoxy)-3-(pyrrol-1-ylamino)propan-2-ol.
What is the SMILES notation for 1-(2,5-dimethylphenoxy)-3-(pyrrol-1-ylamino)propan-2-ol?
The canonical SMILES for 1-(2,5-dimethylphenoxy)-3-(pyrrol-1-ylamino)propan-2-ol is Cc1ccc(C)c(OCC(O)CNn2cccc2)c1.
What is the InChIKey of 1-(2,5-dimethylphenoxy)-3-(pyrrol-1-ylamino)propan-2-ol?
The InChIKey is CYMAQLZQRMHDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-12-5-6-13(2)15(9-12)19-11-14(18)10-16-17-7-3-4-8-17/h3-9,14,16,18H,10-11H2,1-2H3.
What are the key properties of 1-(2,5-dimethylphenoxy)-3-(pyrrol-1-ylamino)propan-2-ol?
1-(2,5-dimethylphenoxy)-3-(pyrrol-1-ylamino)propan-2-ol has a molecular weight of 260.34 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenoxy)-3-(pyrrol-1-ylamino)propan-2-ol is sourced from PubChem (CID 79100094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).