1-[2-hydroxy-3-[2-(2-methoxyphenoxy)ethylamino]propyl]-9H-carbazol-4-ol

C24H26N2O4 — CID 54007436

IUPAC1-[2-hydroxy-3-[2-(2-methoxyphenoxy)ethylamino]propyl]-9H-carbazol-4-ol
SMILESCOc1ccccc1OCCNCC(O)Cc1ccc(O)c2c1[nH]c1ccccc12
InChIInChI=1S/C24H26N2O4/c1-29-21-8-4-5-9-22(21)30-13-12-25-15-17(27)14-16-10-11-20(28)23-18-6-2-3-7-19(18)26-24(16)23/h2-11,17,25-28H,12-15H2,1H3
InChIKeyKPWSDIAAJSWEGK-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.61
Rot. Bonds9

About 1-[2-hydroxy-3-[2-(2-methoxyphenoxy)ethylamino]propyl]-9H-carbazol-4-ol

1-[2-hydroxy-3-[2-(2-methoxyphenoxy)ethylamino]propyl]-9H-carbazol-4-ol (PubChem CID 54007436) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 1-[2-hydroxy-3-[2-(2-methoxyphenoxy)ethylamino]propyl]-9H-carbazol-4-ol.

Molecular Properties

Compound Name1-[2-hydroxy-3-[2-(2-methoxyphenoxy)ethylamino]propyl]-9H-carbazol-4-ol
PubChem CID54007436
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name1-[2-hydroxy-3-[2-(2-methoxyphenoxy)ethylamino]propyl]-9H-carbazol-4-ol
SMILESCOc1ccccc1OCCNCC(O)Cc1ccc(O)c2c1[nH]c1ccccc12
InChIInChI=1S/C24H26N2O4/c1-29-21-8-4-5-9-22(21)30-13-12-25-15-17(27)14-16-10-11-20(28)23-18-6-2-3-7-19(18)26-24(16)23/h2-11,17,25-28H,12-15H2,1H3
InChIKeyKPWSDIAAJSWEGK-UHFFFAOYSA-N
XLogP3.61
TPSA86.74 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-hydroxy-3-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]-9H-carbazol-4-ol
CID 54489309
1-[3-[2-(4-tert-butylphenoxy)ethylamino]-2-hydroxypropyl]-9H-carbazol-4-ol
CID 56635462
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-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;propan-2-ol;hydrobromide
CID 11376246
1-[2-(2-methoxyphenoxy)ethylamino]-4-methylpentan-2-ol
CID 107152431
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxy-4-phenylmethoxyphenoxy)ethylamino]propan-2-ol
CID 5235392
(2S)-1-[2-(2-methoxyphenoxy)ethylamino]-3-propoxypropan-2-ol
CID 125487777
1-(9H-carbazol-4-yloxy)-3-[2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethylamino]propan-2-ol
CID 163589000
[1-(9H-carbazol-1-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-yl] benzoate
CID 70082649
(2S)-1-[2-(2-methoxyphenoxy)ethylamino]-3-(6,7,8,9-tetrahydro-5H-carbazol-4-yloxy)propan-2-ol
CID 95162870
1-(9H-carbazol-1-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-one
CID 171380184

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-[2-(2-methoxyphenoxy)ethylamino]propyl]-9H-carbazol-4-ol?
The IUPAC name of 1-[2-hydroxy-3-[2-(2-methoxyphenoxy)ethylamino]propyl]-9H-carbazol-4-ol (CID 54007436) is 1-[2-hydroxy-3-[2-(2-methoxyphenoxy)ethylamino]propyl]-9H-carbazol-4-ol.
What is the SMILES notation for 1-[2-hydroxy-3-[2-(2-methoxyphenoxy)ethylamino]propyl]-9H-carbazol-4-ol?
The canonical SMILES for 1-[2-hydroxy-3-[2-(2-methoxyphenoxy)ethylamino]propyl]-9H-carbazol-4-ol is COc1ccccc1OCCNCC(O)Cc1ccc(O)c2c1[nH]c1ccccc12.
What is the InChIKey of 1-[2-hydroxy-3-[2-(2-methoxyphenoxy)ethylamino]propyl]-9H-carbazol-4-ol?
The InChIKey is KPWSDIAAJSWEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-29-21-8-4-5-9-22(21)30-13-12-25-15-17(27)14-16-10-11-20(28)23-18-6-2-3-7-19(18)26-24(16)23/h2-11,17,25-28H,12-15H2,1H3.
What are the key properties of 1-[2-hydroxy-3-[2-(2-methoxyphenoxy)ethylamino]propyl]-9H-carbazol-4-ol?
1-[2-hydroxy-3-[2-(2-methoxyphenoxy)ethylamino]propyl]-9H-carbazol-4-ol has a molecular weight of 406.48 g/mol, XLogP of 3.61, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-[2-(2-methoxyphenoxy)ethylamino]propyl]-9H-carbazol-4-ol is sourced from PubChem (CID 54007436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).