(2S)-1-carbazol-9-yl-3-(dimethylamino)propan-2-ol

C17H20N2O — CID 726398

IUPAC(2S)-1-carbazol-9-yl-3-(dimethylamino)propan-2-ol
SMILESCN(C)C[C@H](O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C17H20N2O/c1-18(2)11-13(20)12-19-16-9-5-3-7-14(16)15-8-4-6-10-17(15)19/h3-10,13,20H,11-12H2,1-2H3/t13-/m0/s1
InChIKeyPRJKISUGFXPPMT-ZDUSSCGKSA-N
MW268.36 g/mol
LogP2.72
Rot. Bonds4

About (2S)-1-carbazol-9-yl-3-(dimethylamino)propan-2-ol

(2S)-1-carbazol-9-yl-3-(dimethylamino)propan-2-ol (PubChem CID 726398) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is (2S)-1-carbazol-9-yl-3-(dimethylamino)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-carbazol-9-yl-3-(dimethylamino)propan-2-ol
PubChem CID726398
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name(2S)-1-carbazol-9-yl-3-(dimethylamino)propan-2-ol
SMILESCN(C)C[C@H](O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C17H20N2O/c1-18(2)11-13(20)12-19-16-9-5-3-7-14(16)15-8-4-6-10-17(15)19/h3-10,13,20H,11-12H2,1-2H3/t13-/m0/s1
InChIKeyPRJKISUGFXPPMT-ZDUSSCGKSA-N
XLogP2.72
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-carbazol-9-yl-3-(dimethylamino)propan-2-ol?
The IUPAC name of (2S)-1-carbazol-9-yl-3-(dimethylamino)propan-2-ol (CID 726398) is (2S)-1-carbazol-9-yl-3-(dimethylamino)propan-2-ol.
What is the SMILES notation for (2S)-1-carbazol-9-yl-3-(dimethylamino)propan-2-ol?
The canonical SMILES for (2S)-1-carbazol-9-yl-3-(dimethylamino)propan-2-ol is CN(C)C[C@H](O)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of (2S)-1-carbazol-9-yl-3-(dimethylamino)propan-2-ol?
The InChIKey is PRJKISUGFXPPMT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N2O/c1-18(2)11-13(20)12-19-16-9-5-3-7-14(16)15-8-4-6-10-17(15)19/h3-10,13,20H,11-12H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-1-carbazol-9-yl-3-(dimethylamino)propan-2-ol?
(2S)-1-carbazol-9-yl-3-(dimethylamino)propan-2-ol has a molecular weight of 268.36 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-carbazol-9-yl-3-(dimethylamino)propan-2-ol is sourced from PubChem (CID 726398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).