methyl 2-[5-(2-amino-3-hydroxypropyl)-2-methoxyphenoxy]-2-phenylacetate

C19H23NO5 — CID 170893073

IUPACmethyl 2-[5-(2-amino-3-hydroxypropyl)-2-methoxyphenoxy]-2-phenylacetate
SMILESCOC(=O)C(Oc1cc(CC(N)CO)ccc1OC)c1ccccc1
InChIInChI=1S/C19H23NO5/c1-23-16-9-8-13(10-15(20)12-21)11-17(16)25-18(19(22)24-2)14-6-4-3-5-7-14/h3-9,11,15,18,21H,10,12,20H2,1-2H3
InChIKeyIFSRAUKFYVZZBW-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.85
Rot. Bonds8

About methyl 2-[5-(2-amino-3-hydroxypropyl)-2-methoxyphenoxy]-2-phenylacetate

methyl 2-[5-(2-amino-3-hydroxypropyl)-2-methoxyphenoxy]-2-phenylacetate (PubChem CID 170893073) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is methyl 2-[5-(2-amino-3-hydroxypropyl)-2-methoxyphenoxy]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[5-(2-amino-3-hydroxypropyl)-2-methoxyphenoxy]-2-phenylacetate
PubChem CID170893073
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC Namemethyl 2-[5-(2-amino-3-hydroxypropyl)-2-methoxyphenoxy]-2-phenylacetate
SMILESCOC(=O)C(Oc1cc(CC(N)CO)ccc1OC)c1ccccc1
InChIInChI=1S/C19H23NO5/c1-23-16-9-8-13(10-15(20)12-21)11-17(16)25-18(19(22)24-2)14-6-4-3-5-7-14/h3-9,11,15,18,21H,10,12,20H2,1-2H3
InChIKeyIFSRAUKFYVZZBW-UHFFFAOYSA-N
XLogP1.85
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,4-dimethoxyphenyl)-2-phenylpropanehydrazide
CID 12722073
methyl 2-[2-acetyl-4-(bromomethyl)phenoxy]-2-phenylacetate
CID 19385678
2-amino-3-[4-(3,4-dimethoxyphenyl)phenyl]propan-1-ol
CID 170892877
[2-acetyloxy-4-(2-amino-3-hydroxypropyl)phenyl] acetate
CID 170892206
2-(benzylamino)-3-(3,4-dimethoxyphenyl)propan-1-ol
CID 59712221
methyl 2-[5-[[[amino(benzylsulfanyl)methylidene]hydrazinylidene]methyl]-2-methoxyphenoxy]-2-phenylacetate
CID 168613509
ethyl 2-[4-(2-amino-3-hydroxypropyl)-2-methoxyphenoxy]acetate;hydrochloride
CID 170891770
methyl 2-(2-chlorophenoxy)-2-phenylacetate
CID 102391876
2-amino-3-[3,4-bis(phenylmethoxy)phenyl]propan-1-ol;hydrochloride
CID 170893088
2-amino-3-(3,4-dimethoxyphenyl)propanamide
CID 14132751
methyl 2-[4-(bromomethyl)-2,6-dichlorophenoxy]-2-phenylacetate
CID 19385677
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide;hydrochloride
CID 119948750

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(2-amino-3-hydroxypropyl)-2-methoxyphenoxy]-2-phenylacetate?
The IUPAC name of methyl 2-[5-(2-amino-3-hydroxypropyl)-2-methoxyphenoxy]-2-phenylacetate (CID 170893073) is methyl 2-[5-(2-amino-3-hydroxypropyl)-2-methoxyphenoxy]-2-phenylacetate.
What is the SMILES notation for methyl 2-[5-(2-amino-3-hydroxypropyl)-2-methoxyphenoxy]-2-phenylacetate?
The canonical SMILES for methyl 2-[5-(2-amino-3-hydroxypropyl)-2-methoxyphenoxy]-2-phenylacetate is COC(=O)C(Oc1cc(CC(N)CO)ccc1OC)c1ccccc1.
What is the InChIKey of methyl 2-[5-(2-amino-3-hydroxypropyl)-2-methoxyphenoxy]-2-phenylacetate?
The InChIKey is IFSRAUKFYVZZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5/c1-23-16-9-8-13(10-15(20)12-21)11-17(16)25-18(19(22)24-2)14-6-4-3-5-7-14/h3-9,11,15,18,21H,10,12,20H2,1-2H3.
What are the key properties of methyl 2-[5-(2-amino-3-hydroxypropyl)-2-methoxyphenoxy]-2-phenylacetate?
methyl 2-[5-(2-amino-3-hydroxypropyl)-2-methoxyphenoxy]-2-phenylacetate has a molecular weight of 345.40 g/mol, XLogP of 1.85, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(2-amino-3-hydroxypropyl)-2-methoxyphenoxy]-2-phenylacetate is sourced from PubChem (CID 170893073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).