1-(4-ethylphenoxy)-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol

C15H22N4O2 — CID 62117512

IUPAC1-(4-ethylphenoxy)-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
SMILESCCc1ccc(OCC(O)CNCc2nncn2C)cc1
InChIInChI=1S/C15H22N4O2/c1-3-12-4-6-14(7-5-12)21-10-13(20)8-16-9-15-18-17-11-19(15)2/h4-7,11,13,16,20H,3,8-10H2,1-2H3
InChIKeyUIGSSMMCDWGFBV-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.91
Rot. Bonds8

About 1-(4-ethylphenoxy)-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol

1-(4-ethylphenoxy)-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol (PubChem CID 62117512) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-(4-ethylphenoxy)-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(4-ethylphenoxy)-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
PubChem CID62117512
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-(4-ethylphenoxy)-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
SMILESCCc1ccc(OCC(O)CNCc2nncn2C)cc1
InChIInChI=1S/C15H22N4O2/c1-3-12-4-6-14(7-5-12)21-10-13(20)8-16-9-15-18-17-11-19(15)2/h4-7,11,13,16,20H,3,8-10H2,1-2H3
InChIKeyUIGSSMMCDWGFBV-UHFFFAOYSA-N
XLogP0.91
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluorophenoxy)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
CID 63332575
1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(4-methylphenoxy)propan-2-ol
CID 106302975
1-(4-ethylphenoxy)-3-(pyridazin-3-ylmethylamino)propan-2-ol
CID 106895894
1-(4-ethylphenoxy)-3-(methylamino)propan-2-ol
CID 43188012
1-cyclohexyloxy-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
CID 62119183
(2R)-1-(tert-butylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 787572
(2S)-1-(tert-butylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 787574
4-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]butan-2-ol
CID 64911209
(2S)-1-(4-ethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 39356436
N-ethyl-2-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]acetamide
CID 60908695
1-(3,3-dimethylbutylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 115581071
1-methoxy-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
CID 63930079

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenoxy)-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol?
The IUPAC name of 1-(4-ethylphenoxy)-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol (CID 62117512) is 1-(4-ethylphenoxy)-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(4-ethylphenoxy)-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-(4-ethylphenoxy)-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol is CCc1ccc(OCC(O)CNCc2nncn2C)cc1.
What is the InChIKey of 1-(4-ethylphenoxy)-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol?
The InChIKey is UIGSSMMCDWGFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-3-12-4-6-14(7-5-12)21-10-13(20)8-16-9-15-18-17-11-19(15)2/h4-7,11,13,16,20H,3,8-10H2,1-2H3.
What are the key properties of 1-(4-ethylphenoxy)-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol?
1-(4-ethylphenoxy)-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol has a molecular weight of 290.37 g/mol, XLogP of 0.91, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenoxy)-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol is sourced from PubChem (CID 62117512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).