1-(3,6-dichlorocarbazol-9-yl)-3-(2-phenylethylamino)propan-2-ol

C23H22Cl2N2O — CID 3962134

IUPAC1-(3,6-dichlorocarbazol-9-yl)-3-(2-phenylethylamino)propan-2-ol
SMILESOC(CNCCc1ccccc1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C23H22Cl2N2O/c24-17-6-8-22-20(12-17)21-13-18(25)7-9-23(21)27(22)15-19(28)14-26-11-10-16-4-2-1-3-5-16/h1-9,12-13,19,26,28H,10-11,14-15H2
InChIKeyMAVZDIQQAYQMET-UHFFFAOYSA-N
MW413.35 g/mol
LogP5.29
Rot. Bonds7

About 1-(3,6-dichlorocarbazol-9-yl)-3-(2-phenylethylamino)propan-2-ol

1-(3,6-dichlorocarbazol-9-yl)-3-(2-phenylethylamino)propan-2-ol (PubChem CID 3962134) has the molecular formula C23H22Cl2N2O and a molecular weight of 413.35 g/mol. Its IUPAC name is 1-(3,6-dichlorocarbazol-9-yl)-3-(2-phenylethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3,6-dichlorocarbazol-9-yl)-3-(2-phenylethylamino)propan-2-ol
PubChem CID3962134
Molecular FormulaC23H22Cl2N2O
Molecular Weight413.35 g/mol
Exact Mass412.11
IUPAC Name1-(3,6-dichlorocarbazol-9-yl)-3-(2-phenylethylamino)propan-2-ol
SMILESOC(CNCCc1ccccc1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C23H22Cl2N2O/c24-17-6-8-22-20(12-17)21-13-18(25)7-9-23(21)27(22)15-19(28)14-26-11-10-16-4-2-1-3-5-16/h1-9,12-13,19,26,28H,10-11,14-15H2
InChIKeyMAVZDIQQAYQMET-UHFFFAOYSA-N
XLogP5.29
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.35
LogP ≤ 55.29
H-Bond Donors ≤ 52
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-(2,3-dimethylindol-1-yl)-3-(2-phenylethylamino)propan-2-ol
CID 3635534
(2R)-1-(3,6-dichlorocarbazol-9-yl)-3-[3-(dimethylamino)propylamino]propan-2-ol
CID 2136180
1-(tert-butylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
CID 2802133
(2R)-1-(3,6-dichlorocarbazol-9-yl)-3-(3,4-dimethylanilino)propan-2-ol
CID 989022
1-bromo-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
CID 4643646
(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-(3-methylanilino)propan-2-ol
CID 981425
1-(3,6-dichlorocarbazol-9-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol
CID 3129553
1-(2-phenylethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 23153227
(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-(2,4-dimethylanilino)propan-2-ol
CID 1050322
1-[2-(4-chlorophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 60729575
benzyl-[(2S)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]-[(1R,2S)-2-hydroxycyclohexyl]azanium
CID 11945195

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dichlorocarbazol-9-yl)-3-(2-phenylethylamino)propan-2-ol?
The IUPAC name of 1-(3,6-dichlorocarbazol-9-yl)-3-(2-phenylethylamino)propan-2-ol (CID 3962134) is 1-(3,6-dichlorocarbazol-9-yl)-3-(2-phenylethylamino)propan-2-ol.
What is the SMILES notation for 1-(3,6-dichlorocarbazol-9-yl)-3-(2-phenylethylamino)propan-2-ol?
The canonical SMILES for 1-(3,6-dichlorocarbazol-9-yl)-3-(2-phenylethylamino)propan-2-ol is OC(CNCCc1ccccc1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21.
What is the InChIKey of 1-(3,6-dichlorocarbazol-9-yl)-3-(2-phenylethylamino)propan-2-ol?
The InChIKey is MAVZDIQQAYQMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N2O/c24-17-6-8-22-20(12-17)21-13-18(25)7-9-23(21)27(22)15-19(28)14-26-11-10-16-4-2-1-3-5-16/h1-9,12-13,19,26,28H,10-11,14-15H2.
What are the key properties of 1-(3,6-dichlorocarbazol-9-yl)-3-(2-phenylethylamino)propan-2-ol?
1-(3,6-dichlorocarbazol-9-yl)-3-(2-phenylethylamino)propan-2-ol has a molecular weight of 413.35 g/mol, XLogP of 5.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dichlorocarbazol-9-yl)-3-(2-phenylethylamino)propan-2-ol is sourced from PubChem (CID 3962134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).