methyl 3-[4-[amino(phenyl)methyl]phenyl]propanoate

C17H19NO2 — CID 10635677

IUPACmethyl 3-[4-[amino(phenyl)methyl]phenyl]propanoate
SMILESCOC(=O)CCc1ccc(C(N)c2ccccc2)cc1
InChIInChI=1S/C17H19NO2/c1-20-16(19)12-9-13-7-10-15(11-8-13)17(18)14-5-3-2-4-6-14/h2-8,10-11,17H,9,12,18H2,1H3
InChIKeyMKYZDUBBVCCXMQ-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.84
Rot. Bonds5

About methyl 3-[4-[amino(phenyl)methyl]phenyl]propanoate

methyl 3-[4-[amino(phenyl)methyl]phenyl]propanoate (PubChem CID 10635677) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is methyl 3-[4-[amino(phenyl)methyl]phenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[amino(phenyl)methyl]phenyl]propanoate
PubChem CID10635677
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Namemethyl 3-[4-[amino(phenyl)methyl]phenyl]propanoate
SMILESCOC(=O)CCc1ccc(C(N)c2ccccc2)cc1
InChIInChI=1S/C17H19NO2/c1-20-16(19)12-9-13-7-10-15(11-8-13)17(18)14-5-3-2-4-6-14/h2-8,10-11,17H,9,12,18H2,1H3
InChIKeyMKYZDUBBVCCXMQ-UHFFFAOYSA-N
XLogP2.84
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 10589054
methyl 3-[4-(4-phenylphenyl)phenyl]propanoate
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CID 142087261
benzamide;methyl 3-phenylpropanoate
CID 154677392
methyl 4-methylpentanoate;methyl 3-phenylpropanoate
CID 174923229
3-[4-(1-amino-3-methoxy-3-oxopropyl)phenyl]propanoic acid;hydrochloride
CID 162344784
(3R)-3-amino-4-[4-(3-methoxy-3-oxopropyl)phenyl]-4-oxobutanoic acid
CID 174365398
methyl 2-[4-[chloro(phenyl)methyl]phenyl]acetate
CID 10826221
methyl 3-[4-[4-(3-methoxy-3-oxopropyl)phenoxy]phenyl]propanoate
CID 12706785
methyl 3-[4-(bromomethyl)phenyl]propanoate
CID 54283580
methyl 3-[4-[3-[4-(1-hydroxy-4-phenylbutyl)phenoxy]propoxy]phenyl]propanoate
CID 54295592
methyl 3-[4-(N-[4-[4-[4-(3-methoxy-3-oxopropyl)-N-(4-phenylphenyl)anilino]phenyl]phenyl]-4-phenylanilino)phenyl]propanoate
CID 22335995

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[amino(phenyl)methyl]phenyl]propanoate?
The IUPAC name of methyl 3-[4-[amino(phenyl)methyl]phenyl]propanoate (CID 10635677) is methyl 3-[4-[amino(phenyl)methyl]phenyl]propanoate.
What is the SMILES notation for methyl 3-[4-[amino(phenyl)methyl]phenyl]propanoate?
The canonical SMILES for methyl 3-[4-[amino(phenyl)methyl]phenyl]propanoate is COC(=O)CCc1ccc(C(N)c2ccccc2)cc1.
What is the InChIKey of methyl 3-[4-[amino(phenyl)methyl]phenyl]propanoate?
The InChIKey is MKYZDUBBVCCXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-20-16(19)12-9-13-7-10-15(11-8-13)17(18)14-5-3-2-4-6-14/h2-8,10-11,17H,9,12,18H2,1H3.
What are the key properties of methyl 3-[4-[amino(phenyl)methyl]phenyl]propanoate?
methyl 3-[4-[amino(phenyl)methyl]phenyl]propanoate has a molecular weight of 269.34 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[amino(phenyl)methyl]phenyl]propanoate is sourced from PubChem (CID 10635677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).