methyl 2-[1-(4-hydroxyphenyl)ethylamino]-5-methylbenzoate

C17H19NO3 — CID 43679229

IUPACmethyl 2-[1-(4-hydroxyphenyl)ethylamino]-5-methylbenzoate
SMILESCOC(=O)c1cc(C)ccc1NC(C)c1ccc(O)cc1
InChIInChI=1S/C17H19NO3/c1-11-4-9-16(15(10-11)17(20)21-3)18-12(2)13-5-7-14(19)8-6-13/h4-10,12,18-19H,1-3H3
InChIKeyGUIBOYZJCVIZKC-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.66
Rot. Bonds4

About methyl 2-[1-(4-hydroxyphenyl)ethylamino]-5-methylbenzoate

methyl 2-[1-(4-hydroxyphenyl)ethylamino]-5-methylbenzoate (PubChem CID 43679229) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is methyl 2-[1-(4-hydroxyphenyl)ethylamino]-5-methylbenzoate.

Molecular Properties

Compound Namemethyl 2-[1-(4-hydroxyphenyl)ethylamino]-5-methylbenzoate
PubChem CID43679229
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namemethyl 2-[1-(4-hydroxyphenyl)ethylamino]-5-methylbenzoate
SMILESCOC(=O)c1cc(C)ccc1NC(C)c1ccc(O)cc1
InChIInChI=1S/C17H19NO3/c1-11-4-9-16(15(10-11)17(20)21-3)18-12(2)13-5-7-14(19)8-6-13/h4-10,12,18-19H,1-3H3
InChIKeyGUIBOYZJCVIZKC-UHFFFAOYSA-N
XLogP3.66
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[1-(4-methylphenyl)ethylamino]benzoate
CID 43322026
4-[1-(2-bromo-4-methylanilino)ethyl]phenol
CID 43191244
methyl 2-[1-(3,5-dihydroxyphenyl)ethylamino]benzoate
CID 107705419
methyl 5-methyl-2-(5-methylhexan-2-ylamino)benzoate
CID 43679208
methyl 2-[1-(4-bromophenyl)ethylamino]-5-chlorobenzoate
CID 43678801
methyl 2-[[(2R)-2-aminopropanoyl]amino]-5-methylbenzoate
CID 54991021
methyl 5-fluoro-2-(1-phenylethylamino)benzoate
CID 43735544
4-[1-(2-chloro-5-methylanilino)ethyl]phenol
CID 107631148
methyl 5-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]benzoate
CID 60842005
methyl 2-(heptan-2-ylamino)-5-methylbenzoate
CID 43679128
methyl 5-methyl-2-(2-methylbutylamino)benzoate
CID 43679143
methyl 5-fluoro-2-(1-thiophen-3-ylethylamino)benzoate
CID 62090334

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(4-hydroxyphenyl)ethylamino]-5-methylbenzoate?
The IUPAC name of methyl 2-[1-(4-hydroxyphenyl)ethylamino]-5-methylbenzoate (CID 43679229) is methyl 2-[1-(4-hydroxyphenyl)ethylamino]-5-methylbenzoate.
What is the SMILES notation for methyl 2-[1-(4-hydroxyphenyl)ethylamino]-5-methylbenzoate?
The canonical SMILES for methyl 2-[1-(4-hydroxyphenyl)ethylamino]-5-methylbenzoate is COC(=O)c1cc(C)ccc1NC(C)c1ccc(O)cc1.
What is the InChIKey of methyl 2-[1-(4-hydroxyphenyl)ethylamino]-5-methylbenzoate?
The InChIKey is GUIBOYZJCVIZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-11-4-9-16(15(10-11)17(20)21-3)18-12(2)13-5-7-14(19)8-6-13/h4-10,12,18-19H,1-3H3.
What are the key properties of methyl 2-[1-(4-hydroxyphenyl)ethylamino]-5-methylbenzoate?
methyl 2-[1-(4-hydroxyphenyl)ethylamino]-5-methylbenzoate has a molecular weight of 285.34 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(4-hydroxyphenyl)ethylamino]-5-methylbenzoate is sourced from PubChem (CID 43679229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).