methyl 3-[4-[(4-aminophenyl)methoxy]phenyl]propanoate

C17H19NO3 — CID 23143251

IUPACmethyl 3-[4-[(4-aminophenyl)methoxy]phenyl]propanoate
SMILESCOC(=O)CCc1ccc(OCc2ccc(N)cc2)cc1
InChIInChI=1S/C17H19NO3/c1-20-17(19)11-6-13-4-9-16(10-5-13)21-12-14-2-7-15(18)8-3-14/h2-5,7-10H,6,11-12,18H2,1H3
InChIKeyFJIFAUGCQSBBID-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.95
Rot. Bonds6

About methyl 3-[4-[(4-aminophenyl)methoxy]phenyl]propanoate

methyl 3-[4-[(4-aminophenyl)methoxy]phenyl]propanoate (PubChem CID 23143251) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is methyl 3-[4-[(4-aminophenyl)methoxy]phenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[(4-aminophenyl)methoxy]phenyl]propanoate
PubChem CID23143251
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namemethyl 3-[4-[(4-aminophenyl)methoxy]phenyl]propanoate
SMILESCOC(=O)CCc1ccc(OCc2ccc(N)cc2)cc1
InChIInChI=1S/C17H19NO3/c1-20-17(19)11-6-13-4-9-16(10-5-13)21-12-14-2-7-15(18)8-3-14/h2-5,7-10H,6,11-12,18H2,1H3
InChIKeyFJIFAUGCQSBBID-UHFFFAOYSA-N
XLogP2.95
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

methyl 3-(4-phenylmethoxyphenyl)propanoate;3-(4-phenylmethoxyphenyl)propanoic acid
CID 161360857
methyl hypoiodite;methyl 3-(4-phenylmethoxyphenyl)propanoate
CID 142194241
methyl 3-[4-[4-(3-methoxy-3-oxopropyl)phenoxy]phenyl]propanoate
CID 12706785
methyl 3-(4-propoxyphenyl)propanoate
CID 22949961
methyl 3-[4-[(3-bromophenyl)methoxy]phenyl]propanoate
CID 23136270
(4-phenylmethoxyphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221107
methyl 3-[4-(2-chloroethoxy)phenyl]propanoate
CID 67053705
methyl 3-[4-(3-amino-2-hydroxy-4-methylpentoxy)phenyl]propanoate
CID 70496026
methyl 3-[4-[[4-[(2E)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate
CID 86695725
methyl 3-(4-but-2-enoxyphenyl)propanoate
CID 71395339
4-[(4-aminophenoxy)methyl]phenol;ethane
CID 176977170
methyl 3-(4-heptoxyphenyl)propanoate
CID 82646253

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[(4-aminophenyl)methoxy]phenyl]propanoate?
The IUPAC name of methyl 3-[4-[(4-aminophenyl)methoxy]phenyl]propanoate (CID 23143251) is methyl 3-[4-[(4-aminophenyl)methoxy]phenyl]propanoate.
What is the SMILES notation for methyl 3-[4-[(4-aminophenyl)methoxy]phenyl]propanoate?
The canonical SMILES for methyl 3-[4-[(4-aminophenyl)methoxy]phenyl]propanoate is COC(=O)CCc1ccc(OCc2ccc(N)cc2)cc1.
What is the InChIKey of methyl 3-[4-[(4-aminophenyl)methoxy]phenyl]propanoate?
The InChIKey is FJIFAUGCQSBBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-20-17(19)11-6-13-4-9-16(10-5-13)21-12-14-2-7-15(18)8-3-14/h2-5,7-10H,6,11-12,18H2,1H3.
What are the key properties of methyl 3-[4-[(4-aminophenyl)methoxy]phenyl]propanoate?
methyl 3-[4-[(4-aminophenyl)methoxy]phenyl]propanoate has a molecular weight of 285.34 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[(4-aminophenyl)methoxy]phenyl]propanoate is sourced from PubChem (CID 23143251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).