(2R)-1-(propan-2-ylamino)-3-(2-pyrrol-1-ylphenoxy)propan-2-ol

C16H22N2O2 — CID 6604790

IUPAC(2R)-1-(propan-2-ylamino)-3-(2-pyrrol-1-ylphenoxy)propan-2-ol
SMILESCC(C)NC[C@@H](O)COc1ccccc1-n1cccc1
InChIInChI=1S/C16H22N2O2/c1-13(2)17-11-14(19)12-20-16-8-4-3-7-15(16)18-9-5-6-10-18/h3-10,13-14,17,19H,11-12H2,1-2H3/t14-/m1/s1
InChIKeyXVTVPGKWYHWYAD-CQSZACIVSA-N
MW274.36 g/mol
LogP2.21
Rot. Bonds7

About (2R)-1-(propan-2-ylamino)-3-(2-pyrrol-1-ylphenoxy)propan-2-ol

(2R)-1-(propan-2-ylamino)-3-(2-pyrrol-1-ylphenoxy)propan-2-ol (PubChem CID 6604790) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (2R)-1-(propan-2-ylamino)-3-(2-pyrrol-1-ylphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(propan-2-ylamino)-3-(2-pyrrol-1-ylphenoxy)propan-2-ol
PubChem CID6604790
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(2R)-1-(propan-2-ylamino)-3-(2-pyrrol-1-ylphenoxy)propan-2-ol
SMILESCC(C)NC[C@@H](O)COc1ccccc1-n1cccc1
InChIInChI=1S/C16H22N2O2/c1-13(2)17-11-14(19)12-20-16-8-4-3-7-15(16)18-9-5-6-10-18/h3-10,13-14,17,19H,11-12H2,1-2H3/t14-/m1/s1
InChIKeyXVTVPGKWYHWYAD-CQSZACIVSA-N
XLogP2.21
TPSA46.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(propan-2-ylamino)-3-(2-pyrrol-1-ylphenoxy)propan-2-ol?
The IUPAC name of (2R)-1-(propan-2-ylamino)-3-(2-pyrrol-1-ylphenoxy)propan-2-ol (CID 6604790) is (2R)-1-(propan-2-ylamino)-3-(2-pyrrol-1-ylphenoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-(propan-2-ylamino)-3-(2-pyrrol-1-ylphenoxy)propan-2-ol?
The canonical SMILES for (2R)-1-(propan-2-ylamino)-3-(2-pyrrol-1-ylphenoxy)propan-2-ol is CC(C)NC[C@@H](O)COc1ccccc1-n1cccc1.
What is the InChIKey of (2R)-1-(propan-2-ylamino)-3-(2-pyrrol-1-ylphenoxy)propan-2-ol?
The InChIKey is XVTVPGKWYHWYAD-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-13(2)17-11-14(19)12-20-16-8-4-3-7-15(16)18-9-5-6-10-18/h3-10,13-14,17,19H,11-12H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-1-(propan-2-ylamino)-3-(2-pyrrol-1-ylphenoxy)propan-2-ol?
(2R)-1-(propan-2-ylamino)-3-(2-pyrrol-1-ylphenoxy)propan-2-ol has a molecular weight of 274.36 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(propan-2-ylamino)-3-(2-pyrrol-1-ylphenoxy)propan-2-ol is sourced from PubChem (CID 6604790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).