[2-(aminomethyl)phenyl]methyl prop-2-enoate

C11H13NO2 — CID 174585354

IUPAC[2-(aminomethyl)phenyl]methyl prop-2-enoate
SMILESC=CC(=O)OCc1ccccc1CN
InChIInChI=1S/C11H13NO2/c1-2-11(13)14-8-10-6-4-3-5-9(10)7-12/h2-6H,1,7-8,12H2
InChIKeyHZCQYCCVGGRHDU-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.37
Rot. Bonds4

About [2-(aminomethyl)phenyl]methyl prop-2-enoate

[2-(aminomethyl)phenyl]methyl prop-2-enoate (PubChem CID 174585354) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is [2-(aminomethyl)phenyl]methyl prop-2-enoate.

Molecular Properties

Compound Name[2-(aminomethyl)phenyl]methyl prop-2-enoate
PubChem CID174585354
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name[2-(aminomethyl)phenyl]methyl prop-2-enoate
SMILESC=CC(=O)OCc1ccccc1CN
InChIInChI=1S/C11H13NO2/c1-2-11(13)14-8-10-6-4-3-5-9(10)7-12/h2-6H,1,7-8,12H2
InChIKeyHZCQYCCVGGRHDU-UHFFFAOYSA-N
XLogP1.37
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2-fluorophenyl)methyl prop-2-enoate
CID 66714923
3-[2-(aminomethyl)phenyl]propyl prop-2-enoate
CID 174579618
CID 169031580
CID 169031580
1-[2-(aminomethyl)phenyl]but-3-en-2-one
CID 116595964
CID 174996513
CID 174996513
benzyl prop-2-enoate;but-2-enedioic acid
CID 70273802
[2-[(2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl)oxy]phenyl]methyl prop-2-enoate
CID 142657746
benzyl prop-2-enoate;2-phenylethyl prop-2-enoate
CID 159252010
2-(2-chlorophenyl)ethyl prop-2-enoate
CID 18316827
[2-[2-[3-fluoro-4-[2-[2-(prop-2-enoyloxymethyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]methyl prop-2-enoate
CID 123359994
[2-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methyl prop-2-enoate
CID 155273416
[2-(carbamoyloxymethyl)phenyl]methyl carbamate
CID 23175354

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)phenyl]methyl prop-2-enoate?
The IUPAC name of [2-(aminomethyl)phenyl]methyl prop-2-enoate (CID 174585354) is [2-(aminomethyl)phenyl]methyl prop-2-enoate.
What is the SMILES notation for [2-(aminomethyl)phenyl]methyl prop-2-enoate?
The canonical SMILES for [2-(aminomethyl)phenyl]methyl prop-2-enoate is C=CC(=O)OCc1ccccc1CN.
What is the InChIKey of [2-(aminomethyl)phenyl]methyl prop-2-enoate?
The InChIKey is HZCQYCCVGGRHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-11(13)14-8-10-6-4-3-5-9(10)7-12/h2-6H,1,7-8,12H2.
What are the key properties of [2-(aminomethyl)phenyl]methyl prop-2-enoate?
[2-(aminomethyl)phenyl]methyl prop-2-enoate has a molecular weight of 191.23 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)phenyl]methyl prop-2-enoate is sourced from PubChem (CID 174585354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).