(6-methyl-2-pyridinyl)methyl 3-(4-aminophenoxy)propanoate

C16H18N2O3 — CID 79263644

IUPAC(6-methyl-2-pyridinyl)methyl 3-(4-aminophenoxy)propanoate
SMILESCc1cccc(COC(=O)CCOc2ccc(N)cc2)n1
InChIInChI=1S/C16H18N2O3/c1-12-3-2-4-14(18-12)11-21-16(19)9-10-20-15-7-5-13(17)6-8-15/h2-8H,9-11,17H2,1H3
InChIKeyMPBBKQBBJFKQEV-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.48
Rot. Bonds6

About (6-methyl-2-pyridinyl)methyl 3-(4-aminophenoxy)propanoate

(6-methyl-2-pyridinyl)methyl 3-(4-aminophenoxy)propanoate (PubChem CID 79263644) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is (6-methyl-2-pyridinyl)methyl 3-(4-aminophenoxy)propanoate.

Molecular Properties

Compound Name(6-methyl-2-pyridinyl)methyl 3-(4-aminophenoxy)propanoate
PubChem CID79263644
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name(6-methyl-2-pyridinyl)methyl 3-(4-aminophenoxy)propanoate
SMILESCc1cccc(COC(=O)CCOc2ccc(N)cc2)n1
InChIInChI=1S/C16H18N2O3/c1-12-3-2-4-14(18-12)11-21-16(19)9-10-20-15-7-5-13(17)6-8-15/h2-8H,9-11,17H2,1H3
InChIKeyMPBBKQBBJFKQEV-UHFFFAOYSA-N
XLogP2.48
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(6-methyl-2-pyridinyl)methyl 3-(4-aminophenyl)propanoate
CID 79260623
ethyl 4-[(6-methyl-2-pyridinyl)methoxy]benzoate
CID 79267932
3-methoxypropyl 3-(4-aminophenoxy)propanoate
CID 61310802
3-(3-aminophenoxy)-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 62322289
[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methanol
CID 79267363
(6-methyl-2-pyridinyl)methanol;(6-methyl-2-pyridinyl)methyl acetate
CID 67488057
(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(4-methylphenoxy)propanoate
CID 55475171
2-pyrazol-1-ylethyl 3-(4-aminophenoxy)propanoate
CID 61495027
4-(4-methoxyphenoxy)-N-[(6-methyl-2-pyridinyl)methyl]butanamide
CID 87041312
(3-methyl-1,2-oxazol-5-yl)methyl 3-(4-methylphenoxy)propanoate
CID 55443409
2-cyclobutylethyl 3-(4-aminophenoxy)propanoate
CID 106203637
2-methyl-4-[(6-methyl-2-pyridinyl)methoxy]aniline
CID 79267749

Frequently Asked Questions

What is the IUPAC name of (6-methyl-2-pyridinyl)methyl 3-(4-aminophenoxy)propanoate?
The IUPAC name of (6-methyl-2-pyridinyl)methyl 3-(4-aminophenoxy)propanoate (CID 79263644) is (6-methyl-2-pyridinyl)methyl 3-(4-aminophenoxy)propanoate.
What is the SMILES notation for (6-methyl-2-pyridinyl)methyl 3-(4-aminophenoxy)propanoate?
The canonical SMILES for (6-methyl-2-pyridinyl)methyl 3-(4-aminophenoxy)propanoate is Cc1cccc(COC(=O)CCOc2ccc(N)cc2)n1.
What is the InChIKey of (6-methyl-2-pyridinyl)methyl 3-(4-aminophenoxy)propanoate?
The InChIKey is MPBBKQBBJFKQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-12-3-2-4-14(18-12)11-21-16(19)9-10-20-15-7-5-13(17)6-8-15/h2-8H,9-11,17H2,1H3.
What are the key properties of (6-methyl-2-pyridinyl)methyl 3-(4-aminophenoxy)propanoate?
(6-methyl-2-pyridinyl)methyl 3-(4-aminophenoxy)propanoate has a molecular weight of 286.33 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2-pyridinyl)methyl 3-(4-aminophenoxy)propanoate is sourced from PubChem (CID 79263644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).