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

C18H20Cl2N2O2 — CID 2920941

IUPAC1-(3,6-dichlorocarbazol-9-yl)-3-(2-methoxyethylamino)propan-2-ol
SMILESCOCCNCC(O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C18H20Cl2N2O2/c1-24-7-6-21-10-14(23)11-22-17-4-2-12(19)8-15(17)16-9-13(20)3-5-18(16)22/h2-5,8-9,14,21,23H,6-7,10-11H2,1H3
InChIKeyDSIQFIHYYDCOLI-UHFFFAOYSA-N
MW367.28 g/mol
LogP3.70
Rot. Bonds7

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

1-(3,6-dichlorocarbazol-9-yl)-3-(2-methoxyethylamino)propan-2-ol (PubChem CID 2920941) has the molecular formula C18H20Cl2N2O2 and a molecular weight of 367.28 g/mol. Its IUPAC name is 1-(3,6-dichlorocarbazol-9-yl)-3-(2-methoxyethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3,6-dichlorocarbazol-9-yl)-3-(2-methoxyethylamino)propan-2-ol
PubChem CID2920941
Molecular FormulaC18H20Cl2N2O2
Molecular Weight367.28 g/mol
Exact Mass366.09
IUPAC Name1-(3,6-dichlorocarbazol-9-yl)-3-(2-methoxyethylamino)propan-2-ol
SMILESCOCCNCC(O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C18H20Cl2N2O2/c1-24-7-6-21-10-14(23)11-22-17-4-2-12(19)8-15(17)16-9-13(20)3-5-18(16)22/h2-5,8-9,14,21,23H,6-7,10-11H2,1H3
InChIKeyDSIQFIHYYDCOLI-UHFFFAOYSA-N
XLogP3.70
TPSA46.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 53.70
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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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dichlorocarbazol-9-yl)-3-(2-methoxyethylamino)propan-2-ol?
The IUPAC name of 1-(3,6-dichlorocarbazol-9-yl)-3-(2-methoxyethylamino)propan-2-ol (CID 2920941) is 1-(3,6-dichlorocarbazol-9-yl)-3-(2-methoxyethylamino)propan-2-ol.
What is the SMILES notation for 1-(3,6-dichlorocarbazol-9-yl)-3-(2-methoxyethylamino)propan-2-ol?
The canonical SMILES for 1-(3,6-dichlorocarbazol-9-yl)-3-(2-methoxyethylamino)propan-2-ol is COCCNCC(O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21.
What is the InChIKey of 1-(3,6-dichlorocarbazol-9-yl)-3-(2-methoxyethylamino)propan-2-ol?
The InChIKey is DSIQFIHYYDCOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O2/c1-24-7-6-21-10-14(23)11-22-17-4-2-12(19)8-15(17)16-9-13(20)3-5-18(16)22/h2-5,8-9,14,21,23H,6-7,10-11H2,1H3.
What are the key properties of 1-(3,6-dichlorocarbazol-9-yl)-3-(2-methoxyethylamino)propan-2-ol?
1-(3,6-dichlorocarbazol-9-yl)-3-(2-methoxyethylamino)propan-2-ol has a molecular weight of 367.28 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dichlorocarbazol-9-yl)-3-(2-methoxyethylamino)propan-2-ol is sourced from PubChem (CID 2920941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).