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

C20H24Cl2N2O — CID 3129554

IUPAC1-(3,6-dichlorocarbazol-9-yl)-3-(3-methylbutylamino)propan-2-ol
SMILESCC(C)CCNCC(O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C20H24Cl2N2O/c1-13(2)7-8-23-11-16(25)12-24-19-5-3-14(21)9-17(19)18-10-15(22)4-6-20(18)24/h3-6,9-10,13,16,23,25H,7-8,11-12H2,1-2H3
InChIKeyUFYSTLUSQSQEBD-UHFFFAOYSA-N
MW379.33 g/mol
LogP5.10
Rot. Bonds7

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

1-(3,6-dichlorocarbazol-9-yl)-3-(3-methylbutylamino)propan-2-ol (PubChem CID 3129554) 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-(3-methylbutylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3,6-dichlorocarbazol-9-yl)-3-(3-methylbutylamino)propan-2-ol
PubChem CID3129554
Molecular FormulaC20H24Cl2N2O
Molecular Weight379.33 g/mol
Exact Mass378.13
IUPAC Name1-(3,6-dichlorocarbazol-9-yl)-3-(3-methylbutylamino)propan-2-ol
SMILESCC(C)CCNCC(O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C20H24Cl2N2O/c1-13(2)7-8-23-11-16(25)12-24-19-5-3-14(21)9-17(19)18-10-15(22)4-6-20(18)24/h3-6,9-10,13,16,23,25H,7-8,11-12H2,1-2H3
InChIKeyUFYSTLUSQSQEBD-UHFFFAOYSA-N
XLogP5.10
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.33
LogP ≤ 55.10
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-(3-methylbutylamino)propan-2-ol?
The IUPAC name of 1-(3,6-dichlorocarbazol-9-yl)-3-(3-methylbutylamino)propan-2-ol (CID 3129554) is 1-(3,6-dichlorocarbazol-9-yl)-3-(3-methylbutylamino)propan-2-ol.
What is the SMILES notation for 1-(3,6-dichlorocarbazol-9-yl)-3-(3-methylbutylamino)propan-2-ol?
The canonical SMILES for 1-(3,6-dichlorocarbazol-9-yl)-3-(3-methylbutylamino)propan-2-ol is CC(C)CCNCC(O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21.
What is the InChIKey of 1-(3,6-dichlorocarbazol-9-yl)-3-(3-methylbutylamino)propan-2-ol?
The InChIKey is UFYSTLUSQSQEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2O/c1-13(2)7-8-23-11-16(25)12-24-19-5-3-14(21)9-17(19)18-10-15(22)4-6-20(18)24/h3-6,9-10,13,16,23,25H,7-8,11-12H2,1-2H3.
What are the key properties of 1-(3,6-dichlorocarbazol-9-yl)-3-(3-methylbutylamino)propan-2-ol?
1-(3,6-dichlorocarbazol-9-yl)-3-(3-methylbutylamino)propan-2-ol has a molecular weight of 379.33 g/mol, XLogP of 5.10, 7 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-(3-methylbutylamino)propan-2-ol is sourced from PubChem (CID 3129554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).