(2R)-1-(3,6-dichlorocarbazol-9-yl)-3-[2-(1H-indol-3-yl)ethylamino]propan-2-ol

C25H23Cl2N3O — CID 35726366

IUPAC(2R)-1-(3,6-dichlorocarbazol-9-yl)-3-[2-(1H-indol-3-yl)ethylamino]propan-2-ol
SMILESO[C@H](CNCCc1c[nH]c2ccccc12)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C25H23Cl2N3O/c26-17-5-7-24-21(11-17)22-12-18(27)6-8-25(22)30(24)15-19(31)14-28-10-9-16-13-29-23-4-2-1-3-20(16)23/h1-8,11-13,19,28-29,31H,9-10,14-15H2/t19-/m1/s1
InChIKeyBBTFHKNAZNYZNG-LJQANCHMSA-N
MW452.39 g/mol
LogP5.78
Rot. Bonds7

About (2R)-1-(3,6-dichlorocarbazol-9-yl)-3-[2-(1H-indol-3-yl)ethylamino]propan-2-ol

(2R)-1-(3,6-dichlorocarbazol-9-yl)-3-[2-(1H-indol-3-yl)ethylamino]propan-2-ol (PubChem CID 35726366) has the molecular formula C25H23Cl2N3O and a molecular weight of 452.39 g/mol. Its IUPAC name is (2R)-1-(3,6-dichlorocarbazol-9-yl)-3-[2-(1H-indol-3-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(3,6-dichlorocarbazol-9-yl)-3-[2-(1H-indol-3-yl)ethylamino]propan-2-ol
PubChem CID35726366
Molecular FormulaC25H23Cl2N3O
Molecular Weight452.39 g/mol
Exact Mass451.12
IUPAC Name(2R)-1-(3,6-dichlorocarbazol-9-yl)-3-[2-(1H-indol-3-yl)ethylamino]propan-2-ol
SMILESO[C@H](CNCCc1c[nH]c2ccccc12)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C25H23Cl2N3O/c26-17-5-7-24-21(11-17)22-12-18(27)6-8-25(22)30(24)15-19(31)14-28-10-9-16-13-29-23-4-2-1-3-20(16)23/h1-8,11-13,19,28-29,31H,9-10,14-15H2/t19-/m1/s1
InChIKeyBBTFHKNAZNYZNG-LJQANCHMSA-N
XLogP5.78
TPSA52.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.39
LogP ≤ 55.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluorocarbazol-9-yl)-3-[2-(1H-indol-3-yl)ethylamino]propan-2-ol
CID 175018901
1-(3,6-dichlorocarbazol-9-yl)-3-(2-phenylethylamino)propan-2-ol
CID 3962134
1-(3-chlorophenyl)-2-[2-(1H-indol-3-yl)ethylamino]ethanol
CID 11163954
(2R)-1-[2-(1H-indol-3-yl)ethylamino]-3-(4-methylphenoxy)propan-2-ol
CID 97070492
1-(tert-butylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
CID 2802133
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
N-[2-(1H-indol-3-yl)ethyl]-2-phenylpropan-1-amine;hydrochloride
CID 17158293
1-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108989626
N-(3,5-dichlorophenyl)-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 109002406
2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 108992856
1-N-[2-(1H-indol-3-yl)ethyl]hexane-1,2-diamine
CID 83960679
[2-[2-[2-(1H-indol-3-yl)ethylamino]ethyl]phenyl]methanol
CID 71385029

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,6-dichlorocarbazol-9-yl)-3-[2-(1H-indol-3-yl)ethylamino]propan-2-ol?
The IUPAC name of (2R)-1-(3,6-dichlorocarbazol-9-yl)-3-[2-(1H-indol-3-yl)ethylamino]propan-2-ol (CID 35726366) is (2R)-1-(3,6-dichlorocarbazol-9-yl)-3-[2-(1H-indol-3-yl)ethylamino]propan-2-ol.
What is the SMILES notation for (2R)-1-(3,6-dichlorocarbazol-9-yl)-3-[2-(1H-indol-3-yl)ethylamino]propan-2-ol?
The canonical SMILES for (2R)-1-(3,6-dichlorocarbazol-9-yl)-3-[2-(1H-indol-3-yl)ethylamino]propan-2-ol is O[C@H](CNCCc1c[nH]c2ccccc12)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21.
What is the InChIKey of (2R)-1-(3,6-dichlorocarbazol-9-yl)-3-[2-(1H-indol-3-yl)ethylamino]propan-2-ol?
The InChIKey is BBTFHKNAZNYZNG-LJQANCHMSA-N. The full InChI is InChI=1S/C25H23Cl2N3O/c26-17-5-7-24-21(11-17)22-12-18(27)6-8-25(22)30(24)15-19(31)14-28-10-9-16-13-29-23-4-2-1-3-20(16)23/h1-8,11-13,19,28-29,31H,9-10,14-15H2/t19-/m1/s1.
What are the key properties of (2R)-1-(3,6-dichlorocarbazol-9-yl)-3-[2-(1H-indol-3-yl)ethylamino]propan-2-ol?
(2R)-1-(3,6-dichlorocarbazol-9-yl)-3-[2-(1H-indol-3-yl)ethylamino]propan-2-ol has a molecular weight of 452.39 g/mol, XLogP of 5.78, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,6-dichlorocarbazol-9-yl)-3-[2-(1H-indol-3-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 35726366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).