1-(1H-indazol-6-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol

C19H23N3O4 — CID 72710965

IUPAC1-(1H-indazol-6-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
SMILESCOc1ccccc1OCCNCC(O)COc1ccc2cn[nH]c2c1
InChIInChI=1S/C19H23N3O4/c1-24-18-4-2-3-5-19(18)25-9-8-20-12-15(23)13-26-16-7-6-14-11-21-22-17(14)10-16/h2-7,10-11,15,20,23H,8-9,12-13H2,1H3,(H,21,22)
InChIKeyOFKNIZXGSZFDJL-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.98
Rot. Bonds10

About 1-(1H-indazol-6-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol

1-(1H-indazol-6-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol (PubChem CID 72710965) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-(1H-indazol-6-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(1H-indazol-6-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
PubChem CID72710965
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name1-(1H-indazol-6-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
SMILESCOc1ccccc1OCCNCC(O)COc1ccc2cn[nH]c2c1
InChIInChI=1S/C19H23N3O4/c1-24-18-4-2-3-5-19(18)25-9-8-20-12-15(23)13-26-16-7-6-14-11-21-22-17(14)10-16/h2-7,10-11,15,20,23H,8-9,12-13H2,1H3,(H,21,22)
InChIKeyOFKNIZXGSZFDJL-UHFFFAOYSA-N
XLogP1.98
TPSA88.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[2-(2-methoxyphenoxy)ethylamino]-3-propoxypropan-2-ol
CID 125487777
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
CID 2585
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;hydrochloride
CID 11419372
1-[2-(2-methoxyphenoxy)ethylamino]-4-methylpentan-2-ol
CID 107152431
1-[[4,5-bis(hydroxymethyl)-2-methyl-3-pyridinyl]oxy]-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
CID 54039338
4-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-1-methoxybutan-2-ol
CID 106246755
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;propan-2-ol;hydrobromide
CID 11376246
methyl (E)-3-(3,5-dimethoxyphenyl)-2-[4-[2-hydroxy-3-[2-(2-methoxyphenoxy)ethylamino]propoxy]phenyl]prop-2-enoate
CID 59591476
(2S)-1-[2-(2-methoxyphenoxy)ethylamino]-3-[(3-propyl-2H-indazol-4-yl)oxy]propan-2-ol
CID 155021583
1-(3-benzhydryloxypropylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 110194017
(2R)-1-[(E)-hex-3-enoxy]-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
CID 125487765
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxy-4-phenylmethoxyphenoxy)ethylamino]propan-2-ol
CID 5235392

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-6-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol?
The IUPAC name of 1-(1H-indazol-6-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol (CID 72710965) is 1-(1H-indazol-6-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol.
What is the SMILES notation for 1-(1H-indazol-6-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol?
The canonical SMILES for 1-(1H-indazol-6-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol is COc1ccccc1OCCNCC(O)COc1ccc2cn[nH]c2c1.
What is the InChIKey of 1-(1H-indazol-6-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol?
The InChIKey is OFKNIZXGSZFDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-24-18-4-2-3-5-19(18)25-9-8-20-12-15(23)13-26-16-7-6-14-11-21-22-17(14)10-16/h2-7,10-11,15,20,23H,8-9,12-13H2,1H3,(H,21,22).
What are the key properties of 1-(1H-indazol-6-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol?
1-(1H-indazol-6-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol has a molecular weight of 357.41 g/mol, XLogP of 1.98, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-6-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol is sourced from PubChem (CID 72710965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).