1-(9H-carbazol-4-yloxy)-3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)propan-2-ol;hydrochloride

C18H23ClN2O2 — CID 162640454

IUPAC1-(9H-carbazol-4-yloxy)-3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)propan-2-ol;hydrochloride
SMILESCl.[2H]C([2H])([2H])C([2H])(NCC(O)COc1cccc2[nH]c3ccccc3c12)C([2H])([2H])[2H]
InChIInChI=1S/C18H22N2O2.ClH/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;1H/i1D3,2D3,12D;
InChIKeyDXYNUICMBSWZMR-ODLOEXKQSA-N
MW341.89 g/mol
LogP3.48
Rot. Bonds8

About 1-(9H-carbazol-4-yloxy)-3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)propan-2-ol;hydrochloride

1-(9H-carbazol-4-yloxy)-3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)propan-2-ol;hydrochloride (PubChem CID 162640454) has the molecular formula C18H23ClN2O2 and a molecular weight of 341.89 g/mol. Its IUPAC name is 1-(9H-carbazol-4-yloxy)-3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(9H-carbazol-4-yloxy)-3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)propan-2-ol;hydrochloride
PubChem CID162640454
Molecular FormulaC18H23ClN2O2
Molecular Weight341.89 g/mol
Exact Mass341.19
IUPAC Name1-(9H-carbazol-4-yloxy)-3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)propan-2-ol;hydrochloride
SMILESCl.[2H]C([2H])([2H])C([2H])(NCC(O)COc1cccc2[nH]c3ccccc3c12)C([2H])([2H])[2H]
InChIInChI=1S/C18H22N2O2.ClH/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;1H/i1D3,2D3,12D;
InChIKeyDXYNUICMBSWZMR-ODLOEXKQSA-N
XLogP3.48
TPSA57.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.89
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(9H-carbazol-4-yloxy)-3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)propan-2-ol;hydrochloride?
The IUPAC name of 1-(9H-carbazol-4-yloxy)-3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)propan-2-ol;hydrochloride (CID 162640454) is 1-(9H-carbazol-4-yloxy)-3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(9H-carbazol-4-yloxy)-3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(9H-carbazol-4-yloxy)-3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)propan-2-ol;hydrochloride is Cl.[2H]C([2H])([2H])C([2H])(NCC(O)COc1cccc2[nH]c3ccccc3c12)C([2H])([2H])[2H].
What is the InChIKey of 1-(9H-carbazol-4-yloxy)-3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)propan-2-ol;hydrochloride?
The InChIKey is DXYNUICMBSWZMR-ODLOEXKQSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/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;1H/i1D3,2D3,12D;.
What are the key properties of 1-(9H-carbazol-4-yloxy)-3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)propan-2-ol;hydrochloride?
1-(9H-carbazol-4-yloxy)-3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)propan-2-ol;hydrochloride has a molecular weight of 341.89 g/mol, XLogP of 3.48, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-carbazol-4-yloxy)-3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)propan-2-ol;hydrochloride is sourced from PubChem (CID 162640454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).