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

C20H24Cl2N2O — CID 72714464

IUPAC1-(3,6-dichlorocarbazol-9-yl)-3-(pentylamino)propan-2-ol
SMILESCCCCCNCC(O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C20H24Cl2N2O/c1-2-3-4-9-23-12-16(25)13-24-19-7-5-14(21)10-17(19)18-11-15(22)6-8-20(18)24/h5-8,10-11,16,23,25H,2-4,9,12-13H2,1H3
InChIKeyUPKBMWLQXBERFE-UHFFFAOYSA-N
MW379.33 g/mol
LogP5.24
Rot. Bonds8

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

1-(3,6-dichlorocarbazol-9-yl)-3-(pentylamino)propan-2-ol (PubChem CID 72714464) has the molecular formula C20H24Cl2N2O and a molecular weight of 379.33 g/mol. Its IUPAC name is 1-(3,6-dichlorocarbazol-9-yl)-3-(pentylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3,6-dichlorocarbazol-9-yl)-3-(pentylamino)propan-2-ol
PubChem CID72714464
Molecular FormulaC20H24Cl2N2O
Molecular Weight379.33 g/mol
Exact Mass378.13
IUPAC Name1-(3,6-dichlorocarbazol-9-yl)-3-(pentylamino)propan-2-ol
SMILESCCCCCNCC(O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C20H24Cl2N2O/c1-2-3-4-9-23-12-16(25)13-24-19-7-5-14(21)10-17(19)18-11-15(22)6-8-20(18)24/h5-8,10-11,16,23,25H,2-4,9,12-13H2,1H3
InChIKeyUPKBMWLQXBERFE-UHFFFAOYSA-N
XLogP5.24
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.33
LogP ≤ 55.24
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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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dichlorocarbazol-9-yl)-3-(pentylamino)propan-2-ol?
The IUPAC name of 1-(3,6-dichlorocarbazol-9-yl)-3-(pentylamino)propan-2-ol (CID 72714464) is 1-(3,6-dichlorocarbazol-9-yl)-3-(pentylamino)propan-2-ol.
What is the SMILES notation for 1-(3,6-dichlorocarbazol-9-yl)-3-(pentylamino)propan-2-ol?
The canonical SMILES for 1-(3,6-dichlorocarbazol-9-yl)-3-(pentylamino)propan-2-ol is CCCCCNCC(O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21.
What is the InChIKey of 1-(3,6-dichlorocarbazol-9-yl)-3-(pentylamino)propan-2-ol?
The InChIKey is UPKBMWLQXBERFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2O/c1-2-3-4-9-23-12-16(25)13-24-19-7-5-14(21)10-17(19)18-11-15(22)6-8-20(18)24/h5-8,10-11,16,23,25H,2-4,9,12-13H2,1H3.
What are the key properties of 1-(3,6-dichlorocarbazol-9-yl)-3-(pentylamino)propan-2-ol?
1-(3,6-dichlorocarbazol-9-yl)-3-(pentylamino)propan-2-ol has a molecular weight of 379.33 g/mol, XLogP of 5.24, 8 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-(pentylamino)propan-2-ol is sourced from PubChem (CID 72714464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).