1-(3-fluorocarbazol-9-yl)-3-[2-(1H-indol-3-yl)ethylamino]propan-2-ol

C25H24FN3O — CID 175018901

IUPAC1-(3-fluorocarbazol-9-yl)-3-[2-(1H-indol-3-yl)ethylamino]propan-2-ol
SMILESOC(CNCCc1c[nH]c2ccccc12)Cn1c2ccccc2c2cc(F)ccc21
InChIInChI=1S/C25H24FN3O/c26-18-9-10-25-22(13-18)21-6-2-4-8-24(21)29(25)16-19(30)15-27-12-11-17-14-28-23-7-3-1-5-20(17)23/h1-10,13-14,19,27-28,30H,11-12,15-16H2
InChIKeyMHLNVKXTLMHHDU-UHFFFAOYSA-N
MW401.49 g/mol
LogP4.61
Rot. Bonds7

About 1-(3-fluorocarbazol-9-yl)-3-[2-(1H-indol-3-yl)ethylamino]propan-2-ol

1-(3-fluorocarbazol-9-yl)-3-[2-(1H-indol-3-yl)ethylamino]propan-2-ol (PubChem CID 175018901) has the molecular formula C25H24FN3O and a molecular weight of 401.49 g/mol. Its IUPAC name is 1-(3-fluorocarbazol-9-yl)-3-[2-(1H-indol-3-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(3-fluorocarbazol-9-yl)-3-[2-(1H-indol-3-yl)ethylamino]propan-2-ol
PubChem CID175018901
Molecular FormulaC25H24FN3O
Molecular Weight401.49 g/mol
Exact Mass401.19
IUPAC Name1-(3-fluorocarbazol-9-yl)-3-[2-(1H-indol-3-yl)ethylamino]propan-2-ol
SMILESOC(CNCCc1c[nH]c2ccccc12)Cn1c2ccccc2c2cc(F)ccc21
InChIInChI=1S/C25H24FN3O/c26-18-9-10-25-22(13-18)21-6-2-4-8-24(21)29(25)16-19(30)15-27-12-11-17-14-28-23-7-3-1-5-20(17)23/h1-10,13-14,19,27-28,30H,11-12,15-16H2
InChIKeyMHLNVKXTLMHHDU-UHFFFAOYSA-N
XLogP4.61
TPSA52.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 54.61
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

(2R)-1-(3,6-dichlorocarbazol-9-yl)-3-[2-(1H-indol-3-yl)ethylamino]propan-2-ol
CID 35726366
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
CID 111787771
(2R)-1-[2-(1H-indol-3-yl)ethylamino]-3-(4-methylphenoxy)propan-2-ol
CID 97070492
2-(5-fluoro-1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 113209917
N-[3-(2-fluorocarbazol-9-yl)-2-hydroxypropyl]methanesulfonamide
CID 123473488
N-[[1-[(2-chloro-4-fluorophenyl)methyl]indol-3-yl]methyl]-2-(1H-indol-3-yl)ethanamine
CID 124783349
(E)-3-[1-[2-hydroxy-3-[2-(1H-indol-3-yl)ethylamino]propyl]indol-3-yl]-1-(4-methoxyphenyl)prop-2-en-1-one
CID 6011921
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
3-[1-[2-hydroxy-3-[2-(1H-indol-3-yl)ethylamino]propyl]indol-3-yl]-1-thiophen-2-ylprop-2-en-1-one
CID 3346912
1-(3,6-dichlorocarbazol-9-yl)-3-(2-phenylethylamino)propan-2-ol
CID 3962134
5-fluoro-2-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 175363337

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorocarbazol-9-yl)-3-[2-(1H-indol-3-yl)ethylamino]propan-2-ol?
The IUPAC name of 1-(3-fluorocarbazol-9-yl)-3-[2-(1H-indol-3-yl)ethylamino]propan-2-ol (CID 175018901) is 1-(3-fluorocarbazol-9-yl)-3-[2-(1H-indol-3-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-(3-fluorocarbazol-9-yl)-3-[2-(1H-indol-3-yl)ethylamino]propan-2-ol?
The canonical SMILES for 1-(3-fluorocarbazol-9-yl)-3-[2-(1H-indol-3-yl)ethylamino]propan-2-ol is OC(CNCCc1c[nH]c2ccccc12)Cn1c2ccccc2c2cc(F)ccc21.
What is the InChIKey of 1-(3-fluorocarbazol-9-yl)-3-[2-(1H-indol-3-yl)ethylamino]propan-2-ol?
The InChIKey is MHLNVKXTLMHHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O/c26-18-9-10-25-22(13-18)21-6-2-4-8-24(21)29(25)16-19(30)15-27-12-11-17-14-28-23-7-3-1-5-20(17)23/h1-10,13-14,19,27-28,30H,11-12,15-16H2.
What are the key properties of 1-(3-fluorocarbazol-9-yl)-3-[2-(1H-indol-3-yl)ethylamino]propan-2-ol?
1-(3-fluorocarbazol-9-yl)-3-[2-(1H-indol-3-yl)ethylamino]propan-2-ol has a molecular weight of 401.49 g/mol, XLogP of 4.61, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorocarbazol-9-yl)-3-[2-(1H-indol-3-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 175018901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).