1-[(2-ethenylphenyl)methylamino]ethyl 2-methylprop-2-enoate

C15H19NO2 — CID 88633921

IUPAC1-[(2-ethenylphenyl)methylamino]ethyl 2-methylprop-2-enoate
SMILESC=Cc1ccccc1CNC(C)OC(=O)C(=C)C
InChIInChI=1S/C15H19NO2/c1-5-13-8-6-7-9-14(13)10-16-12(4)18-15(17)11(2)3/h5-9,12,16H,1-2,10H2,3-4H3
InChIKeyBDWLVSUVPPHENR-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.88
Rot. Bonds6

About 1-[(2-ethenylphenyl)methylamino]ethyl 2-methylprop-2-enoate

1-[(2-ethenylphenyl)methylamino]ethyl 2-methylprop-2-enoate (PubChem CID 88633921) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-[(2-ethenylphenyl)methylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-[(2-ethenylphenyl)methylamino]ethyl 2-methylprop-2-enoate
PubChem CID88633921
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-[(2-ethenylphenyl)methylamino]ethyl 2-methylprop-2-enoate
SMILESC=Cc1ccccc1CNC(C)OC(=O)C(=C)C
InChIInChI=1S/C15H19NO2/c1-5-13-8-6-7-9-14(13)10-16-12(4)18-15(17)11(2)3/h5-9,12,16H,1-2,10H2,3-4H3
InChIKeyBDWLVSUVPPHENR-UHFFFAOYSA-N
XLogP2.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-ethenyl-2-ethylbenzene;methyl 2-methylprop-2-enoate
CID 174879691
(2-ethenylphenyl) 2-methylprop-2-enoate
CID 19607397
1-N'-[(2-ethenylphenyl)methyl]-1-N-methylethane-1,1-diamine
CID 134263971
1-(bromomethyl)-2-ethenylbenzene;2-methylprop-1-ene
CID 22617263
(2-ethenylphenyl)methanol;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 174809447
2-[1-(2-methylprop-2-enoyloxy)ethylamino]acetic acid
CID 174779990
1-N'-[(2-ethenylphenyl)methyl]butane-1,1-diamine
CID 70498738
1,2-bis(ethenyl)benzene;octyl 2-methylprop-2-enoate
CID 21392908
1-(ethenylamino)ethyl 2-methylprop-2-enoate
CID 87899404
(1-benzamido-1-oxopropan-2-yl) 2-methylprop-2-enoate
CID 134463310
4-O-[1-(2-ethenylphenyl)-1-(2-methylprop-2-enoyloxy)ethyl] 1-O-[1-(2-methylprop-2-enoyloxy)ethyl] butanedioate
CID 141426021
1-phenylpropan-2-yl 2-methylprop-2-enoate
CID 68742666

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethenylphenyl)methylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 1-[(2-ethenylphenyl)methylamino]ethyl 2-methylprop-2-enoate (CID 88633921) is 1-[(2-ethenylphenyl)methylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-[(2-ethenylphenyl)methylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 1-[(2-ethenylphenyl)methylamino]ethyl 2-methylprop-2-enoate is C=Cc1ccccc1CNC(C)OC(=O)C(=C)C.
What is the InChIKey of 1-[(2-ethenylphenyl)methylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is BDWLVSUVPPHENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-5-13-8-6-7-9-14(13)10-16-12(4)18-15(17)11(2)3/h5-9,12,16H,1-2,10H2,3-4H3.
What are the key properties of 1-[(2-ethenylphenyl)methylamino]ethyl 2-methylprop-2-enoate?
1-[(2-ethenylphenyl)methylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 245.32 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethenylphenyl)methylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 88633921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).