(2S)-1-carbazol-9-yl-3-(2,4,6-trimethylanilino)propan-2-ol

C24H26N2O — CID 7721479

IUPAC(2S)-1-carbazol-9-yl-3-(2,4,6-trimethylanilino)propan-2-ol
SMILESCc1cc(C)c(NC[C@H](O)Cn2c3ccccc3c3ccccc32)c(C)c1
InChIInChI=1S/C24H26N2O/c1-16-12-17(2)24(18(3)13-16)25-14-19(27)15-26-22-10-6-4-8-20(22)21-9-5-7-11-23(21)26/h4-13,19,25,27H,14-15H2,1-3H3/t19-/m0/s1
InChIKeyQEKADJDFSCEOFR-IBGZPJMESA-N
MW358.49 g/mol
LogP5.19
Rot. Bonds5

About (2S)-1-carbazol-9-yl-3-(2,4,6-trimethylanilino)propan-2-ol

(2S)-1-carbazol-9-yl-3-(2,4,6-trimethylanilino)propan-2-ol (PubChem CID 7721479) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is (2S)-1-carbazol-9-yl-3-(2,4,6-trimethylanilino)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-carbazol-9-yl-3-(2,4,6-trimethylanilino)propan-2-ol
PubChem CID7721479
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name(2S)-1-carbazol-9-yl-3-(2,4,6-trimethylanilino)propan-2-ol
SMILESCc1cc(C)c(NC[C@H](O)Cn2c3ccccc3c3ccccc32)c(C)c1
InChIInChI=1S/C24H26N2O/c1-16-12-17(2)24(18(3)13-16)25-14-19(27)15-26-22-10-6-4-8-20(22)21-9-5-7-11-23(21)26/h4-13,19,25,27H,14-15H2,1-3H3/t19-/m0/s1
InChIKeyQEKADJDFSCEOFR-IBGZPJMESA-N
XLogP5.19
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylanilino)-3-(2,3-dimethylindol-1-yl)propan-2-ol
CID 2896665
3-[(3-carbazol-9-yl-2-hydroxypropyl)amino]-2,3-dimethylbutan-2-ol
CID 154741332
1-carbazol-9-yl-3-(pyridin-2-ylamino)propan-2-ol
CID 134161940
(2R)-1-carbazol-9-yl-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 7411148
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
(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-(2,4-dimethylanilino)propan-2-ol
CID 1050322
[(2R)-1-[[(2S)-3-carbazol-9-yl-2-hydroxypropyl]amino]propan-2-yl]carbamic acid
CID 118415459
1-(3,6-diiodocarbazol-9-yl)-3-(3,4-dimethylanilino)propan-2-ol
CID 3119522
[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-trimethylazanium
CID 910212

Frequently Asked Questions

What is the IUPAC name of (2S)-1-carbazol-9-yl-3-(2,4,6-trimethylanilino)propan-2-ol?
The IUPAC name of (2S)-1-carbazol-9-yl-3-(2,4,6-trimethylanilino)propan-2-ol (CID 7721479) is (2S)-1-carbazol-9-yl-3-(2,4,6-trimethylanilino)propan-2-ol.
What is the SMILES notation for (2S)-1-carbazol-9-yl-3-(2,4,6-trimethylanilino)propan-2-ol?
The canonical SMILES for (2S)-1-carbazol-9-yl-3-(2,4,6-trimethylanilino)propan-2-ol is Cc1cc(C)c(NC[C@H](O)Cn2c3ccccc3c3ccccc32)c(C)c1.
What is the InChIKey of (2S)-1-carbazol-9-yl-3-(2,4,6-trimethylanilino)propan-2-ol?
The InChIKey is QEKADJDFSCEOFR-IBGZPJMESA-N. The full InChI is InChI=1S/C24H26N2O/c1-16-12-17(2)24(18(3)13-16)25-14-19(27)15-26-22-10-6-4-8-20(22)21-9-5-7-11-23(21)26/h4-13,19,25,27H,14-15H2,1-3H3/t19-/m0/s1.
What are the key properties of (2S)-1-carbazol-9-yl-3-(2,4,6-trimethylanilino)propan-2-ol?
(2S)-1-carbazol-9-yl-3-(2,4,6-trimethylanilino)propan-2-ol has a molecular weight of 358.49 g/mol, XLogP of 5.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-carbazol-9-yl-3-(2,4,6-trimethylanilino)propan-2-ol is sourced from PubChem (CID 7721479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).