(2R)-1-(3,6-dichlorocarbazol-9-yl)-3-(3,4-dimethylanilino)propan-2-ol

C23H22Cl2N2O — CID 989022

IUPAC(2R)-1-(3,6-dichlorocarbazol-9-yl)-3-(3,4-dimethylanilino)propan-2-ol
SMILESCc1ccc(NC[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)cc1C
InChIInChI=1S/C23H22Cl2N2O/c1-14-3-6-18(9-15(14)2)26-12-19(28)13-27-22-7-4-16(24)10-20(22)21-11-17(25)5-8-23(21)27/h3-11,19,26,28H,12-13H2,1-2H3/t19-/m1/s1
InChIKeyCFCQRVVJTALKIQ-LJQANCHMSA-N
MW413.35 g/mol
LogP6.19
Rot. Bonds5

About (2R)-1-(3,6-dichlorocarbazol-9-yl)-3-(3,4-dimethylanilino)propan-2-ol

(2R)-1-(3,6-dichlorocarbazol-9-yl)-3-(3,4-dimethylanilino)propan-2-ol (PubChem CID 989022) has the molecular formula C23H22Cl2N2O and a molecular weight of 413.35 g/mol. Its IUPAC name is (2R)-1-(3,6-dichlorocarbazol-9-yl)-3-(3,4-dimethylanilino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(3,6-dichlorocarbazol-9-yl)-3-(3,4-dimethylanilino)propan-2-ol
PubChem CID989022
Molecular FormulaC23H22Cl2N2O
Molecular Weight413.35 g/mol
Exact Mass412.11
IUPAC Name(2R)-1-(3,6-dichlorocarbazol-9-yl)-3-(3,4-dimethylanilino)propan-2-ol
SMILESCc1ccc(NC[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)cc1C
InChIInChI=1S/C23H22Cl2N2O/c1-14-3-6-18(9-15(14)2)26-12-19(28)13-27-22-7-4-16(24)10-20(22)21-11-17(25)5-8-23(21)27/h3-11,19,26,28H,12-13H2,1-2H3/t19-/m1/s1
InChIKeyCFCQRVVJTALKIQ-LJQANCHMSA-N
XLogP6.19
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.35
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,6-diiodocarbazol-9-yl)-3-(3,4-dimethylanilino)propan-2-ol
CID 3119522
(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-(3-methylanilino)propan-2-ol
CID 981425
1-(tert-butylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
CID 2802133
(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-(2,4-dimethylanilino)propan-2-ol
CID 1050322
1-bromo-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
CID 4643646
3-(3,4-dimethylanilino)propane-1,2-diol
CID 76891516
1-(3,6-dichlorocarbazol-9-yl)-3-(2-phenylethylamino)propan-2-ol
CID 3962134
(2R)-1-(3,6-dichlorocarbazol-9-yl)-3-[3-(dimethylamino)propylamino]propan-2-ol
CID 2136180
(2S)-1-(3,6-dibromocarbazol-9-yl)-3-(4-propan-2-ylanilino)propan-2-ol
CID 51861099
1-(3,6-dichlorocarbazol-9-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
CID 3101122
1-(3,6-dichlorocarbazol-9-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol
CID 3129553
[(2S)-butan-2-yl]-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]azanium
CID 7478117

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,6-dichlorocarbazol-9-yl)-3-(3,4-dimethylanilino)propan-2-ol?
The IUPAC name of (2R)-1-(3,6-dichlorocarbazol-9-yl)-3-(3,4-dimethylanilino)propan-2-ol (CID 989022) is (2R)-1-(3,6-dichlorocarbazol-9-yl)-3-(3,4-dimethylanilino)propan-2-ol.
What is the SMILES notation for (2R)-1-(3,6-dichlorocarbazol-9-yl)-3-(3,4-dimethylanilino)propan-2-ol?
The canonical SMILES for (2R)-1-(3,6-dichlorocarbazol-9-yl)-3-(3,4-dimethylanilino)propan-2-ol is Cc1ccc(NC[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)cc1C.
What is the InChIKey of (2R)-1-(3,6-dichlorocarbazol-9-yl)-3-(3,4-dimethylanilino)propan-2-ol?
The InChIKey is CFCQRVVJTALKIQ-LJQANCHMSA-N. The full InChI is InChI=1S/C23H22Cl2N2O/c1-14-3-6-18(9-15(14)2)26-12-19(28)13-27-22-7-4-16(24)10-20(22)21-11-17(25)5-8-23(21)27/h3-11,19,26,28H,12-13H2,1-2H3/t19-/m1/s1.
What are the key properties of (2R)-1-(3,6-dichlorocarbazol-9-yl)-3-(3,4-dimethylanilino)propan-2-ol?
(2R)-1-(3,6-dichlorocarbazol-9-yl)-3-(3,4-dimethylanilino)propan-2-ol has a molecular weight of 413.35 g/mol, XLogP of 6.19, 5 rotatable bonds, 2 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-(3,4-dimethylanilino)propan-2-ol is sourced from PubChem (CID 989022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).