3-amino-1-(2-methoxyphenoxy)-1-phenylpropan-1-ol

C16H19NO3 — CID 69398907

IUPAC3-amino-1-(2-methoxyphenoxy)-1-phenylpropan-1-ol
SMILESCOc1ccccc1OC(O)(CCN)c1ccccc1
InChIInChI=1S/C16H19NO3/c1-19-14-9-5-6-10-15(14)20-16(18,11-12-17)13-7-3-2-4-8-13/h2-10,18H,11-12,17H2,1H3
InChIKeyCCWSVTLYORQIBL-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.27
Rot. Bonds6

About 3-amino-1-(2-methoxyphenoxy)-1-phenylpropan-1-ol

3-amino-1-(2-methoxyphenoxy)-1-phenylpropan-1-ol (PubChem CID 69398907) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 3-amino-1-(2-methoxyphenoxy)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2-methoxyphenoxy)-1-phenylpropan-1-ol
PubChem CID69398907
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name3-amino-1-(2-methoxyphenoxy)-1-phenylpropan-1-ol
SMILESCOc1ccccc1OC(O)(CCN)c1ccccc1
InChIInChI=1S/C16H19NO3/c1-19-14-9-5-6-10-15(14)20-16(18,11-12-17)13-7-3-2-4-8-13/h2-10,18H,11-12,17H2,1H3
InChIKeyCCWSVTLYORQIBL-UHFFFAOYSA-N
XLogP2.27
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.27
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

1-amino-2-(2-methoxyphenoxy)propan-2-ol
CID 21327365
2-amino-1-(2,6-dimethoxyphenyl)-1-phenylethanol
CID 116809834
1-amino-4-(2-methoxyphenoxy)-2-phenylbutan-2-ol
CID 116696064
4-(2-methoxyphenoxy)-2-methyl-2-phenylbutan-1-amine
CID 82138274
3-phenyl-5-trimethoxysilylpentane-1,3-diamine
CID 174890020
1-(2-methoxyanilino)-2-phenylpropan-2-ol
CID 62374822
2-amino-1-hydroperoxy-1-phenylethanol
CID 87472003
1-amino-3-(3,4-dimethoxyphenyl)-2-phenylpropan-2-ol
CID 57223105
3-amino-1-(ethylamino)-1-phenylpropan-1-ol
CID 151338197
1-amino-3-phenylpentan-3-ol
CID 79006155
ethyl 2-cyano-3-methoxy-3-(2-methoxyphenoxy)-3-phenylpropanoate
CID 56998715
3-(2,6-dimethoxyphenyl)-3-methylbutan-1-amine
CID 116811364

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-methoxyphenoxy)-1-phenylpropan-1-ol?
The IUPAC name of 3-amino-1-(2-methoxyphenoxy)-1-phenylpropan-1-ol (CID 69398907) is 3-amino-1-(2-methoxyphenoxy)-1-phenylpropan-1-ol.
What is the SMILES notation for 3-amino-1-(2-methoxyphenoxy)-1-phenylpropan-1-ol?
The canonical SMILES for 3-amino-1-(2-methoxyphenoxy)-1-phenylpropan-1-ol is COc1ccccc1OC(O)(CCN)c1ccccc1.
What is the InChIKey of 3-amino-1-(2-methoxyphenoxy)-1-phenylpropan-1-ol?
The InChIKey is CCWSVTLYORQIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-19-14-9-5-6-10-15(14)20-16(18,11-12-17)13-7-3-2-4-8-13/h2-10,18H,11-12,17H2,1H3.
What are the key properties of 3-amino-1-(2-methoxyphenoxy)-1-phenylpropan-1-ol?
3-amino-1-(2-methoxyphenoxy)-1-phenylpropan-1-ol has a molecular weight of 273.33 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-methoxyphenoxy)-1-phenylpropan-1-ol is sourced from PubChem (CID 69398907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).