[5-(1-aminopropan-2-yl)-2-methoxyphenyl]methyl 4-methylbenzoate

C19H23NO3 — CID 134312249

IUPAC[5-(1-aminopropan-2-yl)-2-methoxyphenyl]methyl 4-methylbenzoate
SMILESCOc1ccc(C(C)CN)cc1COC(=O)c1ccc(C)cc1
InChIInChI=1S/C19H23NO3/c1-13-4-6-15(7-5-13)19(21)23-12-17-10-16(14(2)11-20)8-9-18(17)22-3/h4-10,14H,11-12,20H2,1-3H3
InChIKeyVUZAXZGXZPOETF-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.42
Rot. Bonds6

About [5-(1-aminopropan-2-yl)-2-methoxyphenyl]methyl 4-methylbenzoate

[5-(1-aminopropan-2-yl)-2-methoxyphenyl]methyl 4-methylbenzoate (PubChem CID 134312249) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is [5-(1-aminopropan-2-yl)-2-methoxyphenyl]methyl 4-methylbenzoate.

Molecular Properties

Compound Name[5-(1-aminopropan-2-yl)-2-methoxyphenyl]methyl 4-methylbenzoate
PubChem CID134312249
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name[5-(1-aminopropan-2-yl)-2-methoxyphenyl]methyl 4-methylbenzoate
SMILESCOc1ccc(C(C)CN)cc1COC(=O)c1ccc(C)cc1
InChIInChI=1S/C19H23NO3/c1-13-4-6-15(7-5-13)19(21)23-12-17-10-16(14(2)11-20)8-9-18(17)22-3/h4-10,14H,11-12,20H2,1-3H3
InChIKeyVUZAXZGXZPOETF-UHFFFAOYSA-N
XLogP3.42
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methoxy-5-methylphenyl)methyl 4-aminobenzoate
CID 60730788
(2-methoxy-5-methylphenyl)methyl 4-methylsulfonylbenzoate
CID 8955135
(2-methoxy-5-methylphenyl)methyl 4-amino-3-chlorobenzoate
CID 78996965
(5-acetyl-2-methoxyphenyl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 43004687
(5-acetyl-2-methoxyphenyl)methyl pyridine-4-carboxylate
CID 2626045
(5-acetyl-2-methoxyphenyl)methyl 2-(4-methylphenoxy)propanoate
CID 42903545
(5-acetyl-2-methoxyphenyl)methyl (2S)-2-(4-methylphenoxy)propanoate
CID 35968055
(5-acetyl-2-methoxyphenyl)methyl 4-(methylsulfamoyl)benzoate
CID 46670202
(5-acetyl-2-methoxyphenyl)methyl 2,3,4,5,6-pentamethylbenzoate
CID 7235428
ethyl 4-[hydroxy-(4-methylphenyl)methyl]benzoate
CID 138971712
2-(3-chloro-4-methoxyphenyl)propan-1-amine
CID 14579475
(2-methoxyphenyl)methyl 4-hydroxybenzoate
CID 7777293

Frequently Asked Questions

What is the IUPAC name of [5-(1-aminopropan-2-yl)-2-methoxyphenyl]methyl 4-methylbenzoate?
The IUPAC name of [5-(1-aminopropan-2-yl)-2-methoxyphenyl]methyl 4-methylbenzoate (CID 134312249) is [5-(1-aminopropan-2-yl)-2-methoxyphenyl]methyl 4-methylbenzoate.
What is the SMILES notation for [5-(1-aminopropan-2-yl)-2-methoxyphenyl]methyl 4-methylbenzoate?
The canonical SMILES for [5-(1-aminopropan-2-yl)-2-methoxyphenyl]methyl 4-methylbenzoate is COc1ccc(C(C)CN)cc1COC(=O)c1ccc(C)cc1.
What is the InChIKey of [5-(1-aminopropan-2-yl)-2-methoxyphenyl]methyl 4-methylbenzoate?
The InChIKey is VUZAXZGXZPOETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-13-4-6-15(7-5-13)19(21)23-12-17-10-16(14(2)11-20)8-9-18(17)22-3/h4-10,14H,11-12,20H2,1-3H3.
What are the key properties of [5-(1-aminopropan-2-yl)-2-methoxyphenyl]methyl 4-methylbenzoate?
[5-(1-aminopropan-2-yl)-2-methoxyphenyl]methyl 4-methylbenzoate has a molecular weight of 313.40 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-aminopropan-2-yl)-2-methoxyphenyl]methyl 4-methylbenzoate is sourced from PubChem (CID 134312249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).