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

C18H21FN2O2 — CID 10358392

IUPAC(2S)-1-(9H-carbazol-4-yloxy)-3-(1-fluoropropan-2-ylamino)propan-2-ol
SMILESCC(CF)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12
InChIInChI=1S/C18H21FN2O2/c1-12(9-19)20-10-13(22)11-23-17-8-4-7-16-18(17)14-5-2-3-6-15(14)21-16/h2-8,12-13,20-22H,9-11H2,1H3/t12?,13-/m0/s1
InChIKeyQHLGXPUIUKSADT-ABLWVSNPSA-N
MW316.38 g/mol
LogP3.01
Rot. Bonds7

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

(2S)-1-(9H-carbazol-4-yloxy)-3-(1-fluoropropan-2-ylamino)propan-2-ol (PubChem CID 10358392) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is (2S)-1-(9H-carbazol-4-yloxy)-3-(1-fluoropropan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(9H-carbazol-4-yloxy)-3-(1-fluoropropan-2-ylamino)propan-2-ol
PubChem CID10358392
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name(2S)-1-(9H-carbazol-4-yloxy)-3-(1-fluoropropan-2-ylamino)propan-2-ol
SMILESCC(CF)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12
InChIInChI=1S/C18H21FN2O2/c1-12(9-19)20-10-13(22)11-23-17-8-4-7-16-18(17)14-5-2-3-6-15(14)21-16/h2-8,12-13,20-22H,9-11H2,1H3/t12?,13-/m0/s1
InChIKeyQHLGXPUIUKSADT-ABLWVSNPSA-N
XLogP3.01
TPSA57.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.01
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-(1-fluoropropan-2-ylamino)propan-2-ol?
The IUPAC name of (2S)-1-(9H-carbazol-4-yloxy)-3-(1-fluoropropan-2-ylamino)propan-2-ol (CID 10358392) is (2S)-1-(9H-carbazol-4-yloxy)-3-(1-fluoropropan-2-ylamino)propan-2-ol.
What is the SMILES notation for (2S)-1-(9H-carbazol-4-yloxy)-3-(1-fluoropropan-2-ylamino)propan-2-ol?
The canonical SMILES for (2S)-1-(9H-carbazol-4-yloxy)-3-(1-fluoropropan-2-ylamino)propan-2-ol is CC(CF)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12.
What is the InChIKey of (2S)-1-(9H-carbazol-4-yloxy)-3-(1-fluoropropan-2-ylamino)propan-2-ol?
The InChIKey is QHLGXPUIUKSADT-ABLWVSNPSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-12(9-19)20-10-13(22)11-23-17-8-4-7-16-18(17)14-5-2-3-6-15(14)21-16/h2-8,12-13,20-22H,9-11H2,1H3/t12?,13-/m0/s1.
What are the key properties of (2S)-1-(9H-carbazol-4-yloxy)-3-(1-fluoropropan-2-ylamino)propan-2-ol?
(2S)-1-(9H-carbazol-4-yloxy)-3-(1-fluoropropan-2-ylamino)propan-2-ol has a molecular weight of 316.38 g/mol, XLogP of 3.01, 7 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-(1-fluoropropan-2-ylamino)propan-2-ol is sourced from PubChem (CID 10358392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).