1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;hydrochloride

C24H27ClN2O4 — CID 11419372

IUPAC1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;hydrochloride
SMILESCOc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12.Cl
InChIInChI=1S/C24H26N2O4.ClH/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20;/h2-12,17,25-27H,13-16H2,1H3;1H
InChIKeyOSZYHTJPTLLICF-UHFFFAOYSA-N
MW442.94 g/mol
LogP4.16
Rot. Bonds10

About 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;hydrochloride

1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;hydrochloride (PubChem CID 11419372) has the molecular formula C24H27ClN2O4 and a molecular weight of 442.94 g/mol. Its IUPAC name is 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;hydrochloride
PubChem CID11419372
Molecular FormulaC24H27ClN2O4
Molecular Weight442.94 g/mol
Exact Mass442.17
IUPAC Name1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;hydrochloride
SMILESCOc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12.Cl
InChIInChI=1S/C24H26N2O4.ClH/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20;/h2-12,17,25-27H,13-16H2,1H3;1H
InChIKeyOSZYHTJPTLLICF-UHFFFAOYSA-N
XLogP4.16
TPSA75.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.94
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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;propan-2-ol;hydrobromide
CID 11376246
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxy-4-phenylmethoxyphenoxy)ethylamino]propan-2-ol
CID 5235392
1-(9H-carbazol-4-yloxy)-3-[2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethylamino]propan-2-ol
CID 163589000
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
CID 68857872
(2S)-1-[2-(2-methoxyphenoxy)ethylamino]-3-(6,7,8,9-tetrahydro-5H-carbazol-4-yloxy)propan-2-ol
CID 95162870
3-(9H-carbazol-4-yloxy)-2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]propan-1-amine;1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethyl-methylamino]propan-2-ol;2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(9-methylcarbazol-4-yl)oxypropan-1-amine;1-[2-(2-methoxyphenoxy)ethylamino]-3-(9-methylcarbazol-4-yl)oxypropan-2-ol
CID 159401542
1,3-bis(9H-carbazol-4-yloxy)propan-2-ol
CID 71314054
1-(9H-carbazol-4-yloxy)-3-[[3-(9H-carbazol-4-yloxy)-2-methylpropyl]-[2-(2-methoxyphenoxy)ethyl]amino]propan-2-ol
CID 71210309
1-[2-hydroxy-3-[2-(2-methoxyphenoxy)ethylamino]propyl]-9H-carbazol-4-ol
CID 54007436
(2R)-1-(9H-carbazol-4-yloxy)butan-2-ol
CID 58878130
(3R)-1-[(1R,2R)-2-[2-[4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]ethoxy]-3-methoxyphenyl]ethoxy]cyclohexyl]pyrrolidin-3-ol;1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
CID 158771658

Frequently Asked Questions

What is the IUPAC name of 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;hydrochloride?
The IUPAC name of 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;hydrochloride (CID 11419372) is 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;hydrochloride?
The canonical SMILES for 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;hydrochloride is COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12.Cl.
What is the InChIKey of 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;hydrochloride?
The InChIKey is OSZYHTJPTLLICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4.ClH/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20;/h2-12,17,25-27H,13-16H2,1H3;1H.
What are the key properties of 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;hydrochloride?
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;hydrochloride has a molecular weight of 442.94 g/mol, XLogP of 4.16, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;hydrochloride is sourced from PubChem (CID 11419372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).