(2R)-1-carbazol-9-yl-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol

C23H32N2O — CID 7411148

IUPAC(2R)-1-carbazol-9-yl-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
SMILESCC(C)(C)CC(C)(C)NC[C@@H](O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C23H32N2O/c1-22(2,3)16-23(4,5)24-14-17(26)15-25-20-12-8-6-10-18(20)19-11-7-9-13-21(19)25/h6-13,17,24,26H,14-16H2,1-5H3/t17-/m1/s1
InChIKeyCAGJYPPSBOQDCU-QGZVFWFLSA-N
MW352.52 g/mol
LogP4.96
Rot. Bonds6

About (2R)-1-carbazol-9-yl-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol

(2R)-1-carbazol-9-yl-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol (PubChem CID 7411148) has the molecular formula C23H32N2O and a molecular weight of 352.52 g/mol. Its IUPAC name is (2R)-1-carbazol-9-yl-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-carbazol-9-yl-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
PubChem CID7411148
Molecular FormulaC23H32N2O
Molecular Weight352.52 g/mol
Exact Mass352.25
IUPAC Name(2R)-1-carbazol-9-yl-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
SMILESCC(C)(C)CC(C)(C)NC[C@@H](O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C23H32N2O/c1-22(2,3)16-23(4,5)24-14-17(26)15-25-20-12-8-6-10-18(20)19-11-7-9-13-21(19)25/h6-13,17,24,26H,14-16H2,1-5H3/t17-/m1/s1
InChIKeyCAGJYPPSBOQDCU-QGZVFWFLSA-N
XLogP4.96
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-carbazol-9-yl-2-hydroxypropyl)amino]-2,3-dimethylbutan-2-ol
CID 154741332
(2S)-1-carbazol-9-yl-3-(2,4,6-trimethylanilino)propan-2-ol
CID 7721479
(2S)-2-[[(2R)-3-carbazol-9-yl-2-hydroxypropyl]amino]butan-1-ol
CID 962217
1-(tert-butylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
CID 2802133
(2R)-1-carbazol-9-yl-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 2368013
2-[(3-carbazol-9-yl-2-hydroxypropyl)amino]butan-1-ol
CID 6710542
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
1-carbazol-9-yl-3-[3-(dimethylamino)propylamino]propan-2-ol;oxalic acid
CID 16807164
[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-methylazanium
CID 2138697
[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-dimethylazanium
CID 6577414

Frequently Asked Questions

What is the IUPAC name of (2R)-1-carbazol-9-yl-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol?
The IUPAC name of (2R)-1-carbazol-9-yl-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol (CID 7411148) is (2R)-1-carbazol-9-yl-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-carbazol-9-yl-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol?
The canonical SMILES for (2R)-1-carbazol-9-yl-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol is CC(C)(C)CC(C)(C)NC[C@@H](O)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of (2R)-1-carbazol-9-yl-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol?
The InChIKey is CAGJYPPSBOQDCU-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H32N2O/c1-22(2,3)16-23(4,5)24-14-17(26)15-25-20-12-8-6-10-18(20)19-11-7-9-13-21(19)25/h6-13,17,24,26H,14-16H2,1-5H3/t17-/m1/s1.
What are the key properties of (2R)-1-carbazol-9-yl-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol?
(2R)-1-carbazol-9-yl-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol has a molecular weight of 352.52 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-carbazol-9-yl-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol is sourced from PubChem (CID 7411148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).