1-[methyl(2-phenoxyethyl)amino]-3-phenoxypropan-2-ol

C18H23NO3 — CID 4309964

IUPAC1-[methyl(2-phenoxyethyl)amino]-3-phenoxypropan-2-ol
SMILESCN(CCOc1ccccc1)CC(O)COc1ccccc1
InChIInChI=1S/C18H23NO3/c1-19(12-13-21-17-8-4-2-5-9-17)14-16(20)15-22-18-10-6-3-7-11-18/h2-11,16,20H,12-15H2,1H3
InChIKeyXMHPOBVTXUTADF-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.44
Rot. Bonds9

About 1-[methyl(2-phenoxyethyl)amino]-3-phenoxypropan-2-ol

1-[methyl(2-phenoxyethyl)amino]-3-phenoxypropan-2-ol (PubChem CID 4309964) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[methyl(2-phenoxyethyl)amino]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-[methyl(2-phenoxyethyl)amino]-3-phenoxypropan-2-ol
PubChem CID4309964
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name1-[methyl(2-phenoxyethyl)amino]-3-phenoxypropan-2-ol
SMILESCN(CCOc1ccccc1)CC(O)COc1ccccc1
InChIInChI=1S/C18H23NO3/c1-19(12-13-21-17-8-4-2-5-9-17)14-16(20)15-22-18-10-6-3-7-11-18/h2-11,16,20H,12-15H2,1H3
InChIKeyXMHPOBVTXUTADF-UHFFFAOYSA-N
XLogP2.44
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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(+-)-Moprolol
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(-)-Moprolol
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Guaiapate
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CID 2769774
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Tolpronine
CID 201768

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(2-phenoxyethyl)amino]-3-phenoxypropan-2-ol?
The IUPAC name of 1-[methyl(2-phenoxyethyl)amino]-3-phenoxypropan-2-ol (CID 4309964) is 1-[methyl(2-phenoxyethyl)amino]-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-[methyl(2-phenoxyethyl)amino]-3-phenoxypropan-2-ol?
The canonical SMILES for 1-[methyl(2-phenoxyethyl)amino]-3-phenoxypropan-2-ol is CN(CCOc1ccccc1)CC(O)COc1ccccc1.
What is the InChIKey of 1-[methyl(2-phenoxyethyl)amino]-3-phenoxypropan-2-ol?
The InChIKey is XMHPOBVTXUTADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-19(12-13-21-17-8-4-2-5-9-17)14-16(20)15-22-18-10-6-3-7-11-18/h2-11,16,20H,12-15H2,1H3.
What are the key properties of 1-[methyl(2-phenoxyethyl)amino]-3-phenoxypropan-2-ol?
1-[methyl(2-phenoxyethyl)amino]-3-phenoxypropan-2-ol has a molecular weight of 301.39 g/mol, XLogP of 2.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(2-phenoxyethyl)amino]-3-phenoxypropan-2-ol is sourced from PubChem (CID 4309964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).