1-amino-2-(2-methoxyphenoxy)propan-2-ol

C10H15NO3 — CID 21327365

IUPAC1-amino-2-(2-methoxyphenoxy)propan-2-ol
SMILESCOc1ccccc1OC(C)(O)CN
InChIInChI=1S/C10H15NO3/c1-10(12,7-11)14-9-6-4-3-5-8(9)13-2/h3-6,12H,7,11H2,1-2H3
InChIKeyDPEPHHCUGFAZKD-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.74
Rot. Bonds4

About 1-amino-2-(2-methoxyphenoxy)propan-2-ol

1-amino-2-(2-methoxyphenoxy)propan-2-ol (PubChem CID 21327365) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 1-amino-2-(2-methoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-amino-2-(2-methoxyphenoxy)propan-2-ol
PubChem CID21327365
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name1-amino-2-(2-methoxyphenoxy)propan-2-ol
SMILESCOc1ccccc1OC(C)(O)CN
InChIInChI=1S/C10H15NO3/c1-10(12,7-11)14-9-6-4-3-5-8(9)13-2/h3-6,12H,7,11H2,1-2H3
InChIKeyDPEPHHCUGFAZKD-UHFFFAOYSA-N
XLogP0.74
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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2-amino-1-(2,6-dimethoxyphenyl)-1-phenylethanol
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2-fluoro-2-(2-methoxyphenyl)propan-1-amine
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1-amino-4-(2-methoxyphenoxy)-2-phenylbutan-2-ol
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N-(3-amino-2,2-dimethylpropyl)-2-(2-methoxyphenoxy)-N-methylacetamide
CID 119652382
1-methoxy-2-(2-methylbut-3-en-2-yloxy)benzene
CID 72701251
2-(aminomethyl)-1-(2-methoxyphenyl)-2-methylbutan-1-ol
CID 79135152
3-fluoro-3-(2-methoxyphenyl)-2,2-dimethylbutan-1-amine
CID 105483183
1-amino-2-(5-tert-butyl-2-methoxyphenyl)propan-2-ol
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1-amino-2-(2,6-dimethoxyphenyl)-3-methylbutan-2-ol
CID 116809832

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2-methoxyphenoxy)propan-2-ol?
The IUPAC name of 1-amino-2-(2-methoxyphenoxy)propan-2-ol (CID 21327365) is 1-amino-2-(2-methoxyphenoxy)propan-2-ol.
What is the SMILES notation for 1-amino-2-(2-methoxyphenoxy)propan-2-ol?
The canonical SMILES for 1-amino-2-(2-methoxyphenoxy)propan-2-ol is COc1ccccc1OC(C)(O)CN.
What is the InChIKey of 1-amino-2-(2-methoxyphenoxy)propan-2-ol?
The InChIKey is DPEPHHCUGFAZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-10(12,7-11)14-9-6-4-3-5-8(9)13-2/h3-6,12H,7,11H2,1-2H3.
What are the key properties of 1-amino-2-(2-methoxyphenoxy)propan-2-ol?
1-amino-2-(2-methoxyphenoxy)propan-2-ol has a molecular weight of 197.23 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2-methoxyphenoxy)propan-2-ol is sourced from PubChem (CID 21327365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).