(2R)-1-(3,6-dichlorocarbazol-9-yl)-3-[3-(dimethylamino)propylamino]propan-2-ol

C20H25Cl2N3O — CID 2136180

IUPAC(2R)-1-(3,6-dichlorocarbazol-9-yl)-3-[3-(dimethylamino)propylamino]propan-2-ol
SMILESCN(C)CCCNC[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C20H25Cl2N3O/c1-24(2)9-3-8-23-12-16(26)13-25-19-6-4-14(21)10-17(19)18-11-15(22)5-7-20(18)25/h4-7,10-11,16,23,26H,3,8-9,12-13H2,1-2H3/t16-/m1/s1
InChIKeyZUXCZVPFDKRZKN-MRXNPFEDSA-N
MW394.35 g/mol
LogP4.00
Rot. Bonds8

About (2R)-1-(3,6-dichlorocarbazol-9-yl)-3-[3-(dimethylamino)propylamino]propan-2-ol

(2R)-1-(3,6-dichlorocarbazol-9-yl)-3-[3-(dimethylamino)propylamino]propan-2-ol (PubChem CID 2136180) has the molecular formula C20H25Cl2N3O and a molecular weight of 394.35 g/mol. Its IUPAC name is (2R)-1-(3,6-dichlorocarbazol-9-yl)-3-[3-(dimethylamino)propylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(3,6-dichlorocarbazol-9-yl)-3-[3-(dimethylamino)propylamino]propan-2-ol
PubChem CID2136180
Molecular FormulaC20H25Cl2N3O
Molecular Weight394.35 g/mol
Exact Mass393.14
IUPAC Name(2R)-1-(3,6-dichlorocarbazol-9-yl)-3-[3-(dimethylamino)propylamino]propan-2-ol
SMILESCN(C)CCCNC[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C20H25Cl2N3O/c1-24(2)9-3-8-23-12-16(26)13-25-19-6-4-14(21)10-17(19)18-11-15(22)5-7-20(18)25/h4-7,10-11,16,23,26H,3,8-9,12-13H2,1-2H3/t16-/m1/s1
InChIKeyZUXCZVPFDKRZKN-MRXNPFEDSA-N
XLogP4.00
TPSA40.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-carbazol-9-yl-3-[3-(dimethylamino)propylamino]propan-2-ol;oxalic acid
CID 16807164
1-(3,6-dichlorocarbazol-9-yl)-3-(2-phenylethylamino)propan-2-ol
CID 3962134
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
(2R)-1-(3,6-dichlorocarbazol-9-yl)-3-[2-(1H-indol-3-yl)ethylamino]propan-2-ol
CID 35726366
1-bromo-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
CID 4643646
1-(3,6-dichlorocarbazol-9-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol
CID 3129553
(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-(2,4-dimethylanilino)propan-2-ol
CID 1050322
(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-(3-methylanilino)propan-2-ol
CID 981425
1-(2,4-dichlorophenoxy)-3-[2-(dimethylamino)ethylamino]propan-2-ol
CID 60635084
[(2S)-butan-2-yl]-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]azanium
CID 7478117
[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]-dipropylazanium
CID 7177141

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,6-dichlorocarbazol-9-yl)-3-[3-(dimethylamino)propylamino]propan-2-ol?
The IUPAC name of (2R)-1-(3,6-dichlorocarbazol-9-yl)-3-[3-(dimethylamino)propylamino]propan-2-ol (CID 2136180) is (2R)-1-(3,6-dichlorocarbazol-9-yl)-3-[3-(dimethylamino)propylamino]propan-2-ol.
What is the SMILES notation for (2R)-1-(3,6-dichlorocarbazol-9-yl)-3-[3-(dimethylamino)propylamino]propan-2-ol?
The canonical SMILES for (2R)-1-(3,6-dichlorocarbazol-9-yl)-3-[3-(dimethylamino)propylamino]propan-2-ol is CN(C)CCCNC[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21.
What is the InChIKey of (2R)-1-(3,6-dichlorocarbazol-9-yl)-3-[3-(dimethylamino)propylamino]propan-2-ol?
The InChIKey is ZUXCZVPFDKRZKN-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25Cl2N3O/c1-24(2)9-3-8-23-12-16(26)13-25-19-6-4-14(21)10-17(19)18-11-15(22)5-7-20(18)25/h4-7,10-11,16,23,26H,3,8-9,12-13H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-1-(3,6-dichlorocarbazol-9-yl)-3-[3-(dimethylamino)propylamino]propan-2-ol?
(2R)-1-(3,6-dichlorocarbazol-9-yl)-3-[3-(dimethylamino)propylamino]propan-2-ol has a molecular weight of 394.35 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,6-dichlorocarbazol-9-yl)-3-[3-(dimethylamino)propylamino]propan-2-ol is sourced from PubChem (CID 2136180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).