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

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Related Compounds

(2R)-1-carbazol-9-yl-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 7411148
(2S)-1-carbazol-9-yl-3-(2,4,6-trimethylanilino)propan-2-ol
CID 7721479
2-[(3-carbazol-9-yl-2-hydroxypropyl)amino]butan-1-ol
CID 6710542
(2S)-2-[[(2R)-3-carbazol-9-yl-2-hydroxypropyl]amino]butan-1-ol
CID 962217
(2R)-1-carbazol-9-yl-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 2368013
1-carbazol-9-yl-3-(1-phenylethylamino)propan-2-ol
CID 3635355
1-carbazol-9-yl-3-(pyridin-2-ylamino)propan-2-ol
CID 134161940
[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-trimethylazanium
CID 910212
[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-methylazanium
CID 2138697
[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-dimethylazanium
CID 6577414
1-(tert-butylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
CID 2802133
tert-butyl N-[1-[(3-carbazol-9-yl-2-hydroxypropyl)amino]propan-2-yl]carbamate
CID 123173626

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).