(2S)-1-(9H-carbazol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol

C18H22N2O2 — CID 13023332

IUPAC(2S)-1-(9H-carbazol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12
InChIInChI=1S/C18H22N2O2/c1-12(2)19-10-13(21)11-22-17-9-5-8-16-18(17)14-6-3-4-7-15(14)20-16/h3-9,12-13,19-21H,10-11H2,1-2H3/t13-/m0/s1
InChIKeyBQXQGZPYHWWCEB-ZDUSSCGKSA-N
MW298.39 g/mol
LogP3.06
Rot. Bonds6

About (2S)-1-(9H-carbazol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol

(2S)-1-(9H-carbazol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol (PubChem CID 13023332) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is (2S)-1-(9H-carbazol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(9H-carbazol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
PubChem CID13023332
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name(2S)-1-(9H-carbazol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12
InChIInChI=1S/C18H22N2O2/c1-12(2)19-10-13(21)11-22-17-9-5-8-16-18(17)14-6-3-4-7-15(14)20-16/h3-9,12-13,19-21H,10-11H2,1-2H3/t13-/m0/s1
InChIKeyBQXQGZPYHWWCEB-ZDUSSCGKSA-N
XLogP3.06
TPSA57.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(9H-carbazol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of (2S)-1-(9H-carbazol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol (CID 13023332) is (2S)-1-(9H-carbazol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for (2S)-1-(9H-carbazol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for (2S)-1-(9H-carbazol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol is CC(C)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12.
What is the InChIKey of (2S)-1-(9H-carbazol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is BQXQGZPYHWWCEB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12(2)19-10-13(21)11-22-17-9-5-8-16-18(17)14-6-3-4-7-15(14)20-16/h3-9,12-13,19-21H,10-11H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-1-(9H-carbazol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol?
(2S)-1-(9H-carbazol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 298.39 g/mol, XLogP of 3.06, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(9H-carbazol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 13023332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).