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

C23H22Cl2N2O — CID 1050322

IUPAC(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-(2,4-dimethylanilino)propan-2-ol
SMILESCc1ccc(NC[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)c(C)c1
InChIInChI=1S/C23H22Cl2N2O/c1-14-3-6-21(15(2)9-14)26-12-18(28)13-27-22-7-4-16(24)10-19(22)20-11-17(25)5-8-23(20)27/h3-11,18,26,28H,12-13H2,1-2H3/t18-/m0/s1
InChIKeyARKCEZWOBWBMPC-SFHVURJKSA-N
MW413.35 g/mol
LogP6.19
Rot. Bonds5

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

(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-(2,4-dimethylanilino)propan-2-ol (PubChem CID 1050322) has the molecular formula C23H22Cl2N2O and a molecular weight of 413.35 g/mol. Its IUPAC name is (2S)-1-(3,6-dichlorocarbazol-9-yl)-3-(2,4-dimethylanilino)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-(2,4-dimethylanilino)propan-2-ol
PubChem CID1050322
Molecular FormulaC23H22Cl2N2O
Molecular Weight413.35 g/mol
Exact Mass412.11
IUPAC Name(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-(2,4-dimethylanilino)propan-2-ol
SMILESCc1ccc(NC[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)c(C)c1
InChIInChI=1S/C23H22Cl2N2O/c1-14-3-6-21(15(2)9-14)26-12-18(28)13-27-22-7-4-16(24)10-19(22)20-11-17(25)5-8-23(20)27/h3-11,18,26,28H,12-13H2,1-2H3/t18-/m0/s1
InChIKeyARKCEZWOBWBMPC-SFHVURJKSA-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

Analyze (2S)-1-(3,6-dichlorocarbazol-9-yl)-3-(2,4-dimethylanilino)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-(3-methylanilino)propan-2-ol
CID 981425
(2R)-1-(3,6-dichlorocarbazol-9-yl)-3-(3,4-dimethylanilino)propan-2-ol
CID 989022
1-(tert-butylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
CID 2802133
1-bromo-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
CID 4643646
(2S)-1-carbazol-9-yl-3-(2,4,6-trimethylanilino)propan-2-ol
CID 7721479
1-(2,5-dimethylanilino)-3-(2,3-dimethylindol-1-yl)propan-2-ol
CID 2896665
1-(2,4-dimethylanilino)-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-ol
CID 3579043
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-(2,4-dimethylanilino)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol
CID 51396677
1-(4-chloro-2-methylanilino)-3-(diethylamino)propan-2-ol
CID 114255834
1-(3,6-dichlorocarbazol-9-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol
CID 3129553

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3,6-dichlorocarbazol-9-yl)-3-(2,4-dimethylanilino)propan-2-ol?
The IUPAC name of (2S)-1-(3,6-dichlorocarbazol-9-yl)-3-(2,4-dimethylanilino)propan-2-ol (CID 1050322) is (2S)-1-(3,6-dichlorocarbazol-9-yl)-3-(2,4-dimethylanilino)propan-2-ol.
What is the SMILES notation for (2S)-1-(3,6-dichlorocarbazol-9-yl)-3-(2,4-dimethylanilino)propan-2-ol?
The canonical SMILES for (2S)-1-(3,6-dichlorocarbazol-9-yl)-3-(2,4-dimethylanilino)propan-2-ol is Cc1ccc(NC[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)c(C)c1.
What is the InChIKey of (2S)-1-(3,6-dichlorocarbazol-9-yl)-3-(2,4-dimethylanilino)propan-2-ol?
The InChIKey is ARKCEZWOBWBMPC-SFHVURJKSA-N. The full InChI is InChI=1S/C23H22Cl2N2O/c1-14-3-6-21(15(2)9-14)26-12-18(28)13-27-22-7-4-16(24)10-19(22)20-11-17(25)5-8-23(20)27/h3-11,18,26,28H,12-13H2,1-2H3/t18-/m0/s1.
What are the key properties of (2S)-1-(3,6-dichlorocarbazol-9-yl)-3-(2,4-dimethylanilino)propan-2-ol?
(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-(2,4-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 (2S)-1-(3,6-dichlorocarbazol-9-yl)-3-(2,4-dimethylanilino)propan-2-ol is sourced from PubChem (CID 1050322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).