3-[(3-carbazol-9-yl-2-hydroxypropyl)amino]-2,3-dimethylbutan-2-ol

C21H28N2O2 — CID 154741332

IUPAC3-[(3-carbazol-9-yl-2-hydroxypropyl)amino]-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)NCC(O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C21H28N2O2/c1-20(2,21(3,4)25)22-13-15(24)14-23-18-11-7-5-9-16(18)17-10-6-8-12-19(17)23/h5-12,15,22,24-25H,13-14H2,1-4H3
InChIKeyQOSVGVVGFNWXBU-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.29
Rot. Bonds6

About 3-[(3-carbazol-9-yl-2-hydroxypropyl)amino]-2,3-dimethylbutan-2-ol

3-[(3-carbazol-9-yl-2-hydroxypropyl)amino]-2,3-dimethylbutan-2-ol (PubChem CID 154741332) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 3-[(3-carbazol-9-yl-2-hydroxypropyl)amino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-[(3-carbazol-9-yl-2-hydroxypropyl)amino]-2,3-dimethylbutan-2-ol
PubChem CID154741332
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name3-[(3-carbazol-9-yl-2-hydroxypropyl)amino]-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)NCC(O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C21H28N2O2/c1-20(2,21(3,4)25)22-13-15(24)14-23-18-11-7-5-9-16(18)17-10-6-8-12-19(17)23/h5-12,15,22,24-25H,13-14H2,1-4H3
InChIKeyQOSVGVVGFNWXBU-UHFFFAOYSA-N
XLogP3.29
TPSA57.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[(3-carbazol-9-yl-2-hydroxypropyl)amino]-2,3-dimethylbutan-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

Frequently Asked Questions

What is the IUPAC name of 3-[(3-carbazol-9-yl-2-hydroxypropyl)amino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-[(3-carbazol-9-yl-2-hydroxypropyl)amino]-2,3-dimethylbutan-2-ol (CID 154741332) is 3-[(3-carbazol-9-yl-2-hydroxypropyl)amino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-[(3-carbazol-9-yl-2-hydroxypropyl)amino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-[(3-carbazol-9-yl-2-hydroxypropyl)amino]-2,3-dimethylbutan-2-ol is CC(C)(O)C(C)(C)NCC(O)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 3-[(3-carbazol-9-yl-2-hydroxypropyl)amino]-2,3-dimethylbutan-2-ol?
The InChIKey is QOSVGVVGFNWXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-20(2,21(3,4)25)22-13-15(24)14-23-18-11-7-5-9-16(18)17-10-6-8-12-19(17)23/h5-12,15,22,24-25H,13-14H2,1-4H3.
What are the key properties of 3-[(3-carbazol-9-yl-2-hydroxypropyl)amino]-2,3-dimethylbutan-2-ol?
3-[(3-carbazol-9-yl-2-hydroxypropyl)amino]-2,3-dimethylbutan-2-ol has a molecular weight of 340.47 g/mol, XLogP of 3.29, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-carbazol-9-yl-2-hydroxypropyl)amino]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 154741332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).