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

C13H24N2O2 — CID 79101367

IUPAC1-[(2,5-dimethylpyrrol-1-yl)amino]-3-(2-methylpropoxy)propan-2-ol
SMILESCc1ccc(C)n1NCC(O)COCC(C)C
InChIInChI=1S/C13H24N2O2/c1-10(2)8-17-9-13(16)7-14-15-11(3)5-6-12(15)4/h5-6,10,13-14,16H,7-9H2,1-4H3
InChIKeyJUCMSCLXSJIGRR-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.68
Rot. Bonds7

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

1-[(2,5-dimethylpyrrol-1-yl)amino]-3-(2-methylpropoxy)propan-2-ol (PubChem CID 79101367) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-[(2,5-dimethylpyrrol-1-yl)amino]-3-(2-methylpropoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(2,5-dimethylpyrrol-1-yl)amino]-3-(2-methylpropoxy)propan-2-ol
PubChem CID79101367
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-[(2,5-dimethylpyrrol-1-yl)amino]-3-(2-methylpropoxy)propan-2-ol
SMILESCc1ccc(C)n1NCC(O)COCC(C)C
InChIInChI=1S/C13H24N2O2/c1-10(2)8-17-9-13(16)7-14-15-11(3)5-6-12(15)4/h5-6,10,13-14,16H,7-9H2,1-4H3
InChIKeyJUCMSCLXSJIGRR-UHFFFAOYSA-N
XLogP1.68
TPSA46.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-butoxyethoxy)-3-[(2,5-dimethylpyrrol-1-yl)amino]propan-2-ol
CID 79100841
1-[(2,5-dimethylpyrrol-1-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 79101281
1-[(2,5-dimethylpyrrol-1-yl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 79108175
1-(2,6-dimethylanilino)-3-(2-methylpropoxy)propan-2-ol
CID 55061574
1-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 81374323
1-[[(1S)-1-(4-methylphenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 81355468
1-(methoxyamino)-3-(2-methylpropoxy)propan-2-ol
CID 60702508
1-[2-(difluoromethylsulfanyl)anilino]-3-(2-methylpropoxy)propan-2-ol
CID 60898445
1-(2-methylpropoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81408465
1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 81379953
1-(2-bromo-4-methylanilino)-3-(2-methylpropoxy)propan-2-ol
CID 60898402
1-(2-methylpropoxy)-3-[2-(trifluoromethyl)anilino]propan-2-ol
CID 60898806

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylpyrrol-1-yl)amino]-3-(2-methylpropoxy)propan-2-ol?
The IUPAC name of 1-[(2,5-dimethylpyrrol-1-yl)amino]-3-(2-methylpropoxy)propan-2-ol (CID 79101367) is 1-[(2,5-dimethylpyrrol-1-yl)amino]-3-(2-methylpropoxy)propan-2-ol.
What is the SMILES notation for 1-[(2,5-dimethylpyrrol-1-yl)amino]-3-(2-methylpropoxy)propan-2-ol?
The canonical SMILES for 1-[(2,5-dimethylpyrrol-1-yl)amino]-3-(2-methylpropoxy)propan-2-ol is Cc1ccc(C)n1NCC(O)COCC(C)C.
What is the InChIKey of 1-[(2,5-dimethylpyrrol-1-yl)amino]-3-(2-methylpropoxy)propan-2-ol?
The InChIKey is JUCMSCLXSJIGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10(2)8-17-9-13(16)7-14-15-11(3)5-6-12(15)4/h5-6,10,13-14,16H,7-9H2,1-4H3.
What are the key properties of 1-[(2,5-dimethylpyrrol-1-yl)amino]-3-(2-methylpropoxy)propan-2-ol?
1-[(2,5-dimethylpyrrol-1-yl)amino]-3-(2-methylpropoxy)propan-2-ol has a molecular weight of 240.35 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylpyrrol-1-yl)amino]-3-(2-methylpropoxy)propan-2-ol is sourced from PubChem (CID 79101367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).