1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol

C15H25NO3 — CID 4171

💊View drug profile → metoprolol
IUPAC1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
SMILESCOCCc1ccc(OCC(O)CNC(C)C)cc1
InChIInChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3
InChIKeyIUBSYMUCCVWXPE-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.61
Rot. Bonds9

About 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol

1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol (PubChem CID 4171) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
PubChem CID4171
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
SMILESCOCCc1ccc(OCC(O)CNC(C)C)cc1
InChIInChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3
InChIKeyIUBSYMUCCVWXPE-UHFFFAOYSA-N
XLogP1.61
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Propranolol Hydrochloride
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Anisomycin
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Betaxolol
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Oxprenolol
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Esmolol
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Esmolol Hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol (CID 4171) is 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol is COCCc1ccc(OCC(O)CNC(C)C)cc1.
What is the InChIKey of 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is IUBSYMUCCVWXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3.
What are the key properties of 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol?
1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 1.61, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 4171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).