1-(dimethylamino)ethyl 2-methylprop-2-enoate;phenylmethanamine

C15H24N2O2 — CID 174596422

IUPAC1-(dimethylamino)ethyl 2-methylprop-2-enoate;phenylmethanamine
SMILESC=C(C)C(=O)OC(C)N(C)C.NCc1ccccc1
InChIInChI=1S/C8H15NO2.C7H9N/c1-6(2)8(10)11-7(3)9(4)5;8-6-7-4-2-1-3-5-7/h7H,1H2,2-5H3;1-5H,6,8H2
InChIKeyGRQVXYQBFIUKLW-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.16
Rot. Bonds4

About 1-(dimethylamino)ethyl 2-methylprop-2-enoate;phenylmethanamine

1-(dimethylamino)ethyl 2-methylprop-2-enoate;phenylmethanamine (PubChem CID 174596422) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(dimethylamino)ethyl 2-methylprop-2-enoate;phenylmethanamine.

Molecular Properties

Compound Name1-(dimethylamino)ethyl 2-methylprop-2-enoate;phenylmethanamine
PubChem CID174596422
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-(dimethylamino)ethyl 2-methylprop-2-enoate;phenylmethanamine
SMILESC=C(C)C(=O)OC(C)N(C)C.NCc1ccccc1
InChIInChI=1S/C8H15NO2.C7H9N/c1-6(2)8(10)11-7(3)9(4)5;8-6-7-4-2-1-3-5-7/h7H,1H2,2-5H3;1-5H,6,8H2
InChIKeyGRQVXYQBFIUKLW-UHFFFAOYSA-N
XLogP2.16
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrobromide
CID 19073826
1-phenylpropan-2-yl 2-methylprop-2-enoate
CID 68742666
3-(dimethylamino)-2-methylidenebutanoic acid;phenylmethanamine;hydrochloride
CID 175003213
1-(dimethylamino)ethyl 2-oxo-4-phenylbutanoate
CID 21295116
benzyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 21188240
1-(dimethylamino)ethyl 2-phenylacetate
CID 88661320
CID 87516438
CID 87516438
1-(N-tert-butylanilino)ethyl 2-methylprop-2-enoate
CID 69412548
1-(dimethylamino)ethyl 2-[(4-benzoylphenyl)methyl]prop-2-enoate;hydrochloride
CID 175001526
oxiran-2-ylmethyl 2-methylprop-2-enoate;phenylmethanamine
CID 175327746
benzyl 2-methyl(113C)prop-2-enoate;benzyl 2-oxo(113C)propanoate
CID 161249019
benzyl 2-methylprop-2-enoate;hydrofluoride
CID 161313656

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)ethyl 2-methylprop-2-enoate;phenylmethanamine?
The IUPAC name of 1-(dimethylamino)ethyl 2-methylprop-2-enoate;phenylmethanamine (CID 174596422) is 1-(dimethylamino)ethyl 2-methylprop-2-enoate;phenylmethanamine.
What is the SMILES notation for 1-(dimethylamino)ethyl 2-methylprop-2-enoate;phenylmethanamine?
The canonical SMILES for 1-(dimethylamino)ethyl 2-methylprop-2-enoate;phenylmethanamine is C=C(C)C(=O)OC(C)N(C)C.NCc1ccccc1.
What is the InChIKey of 1-(dimethylamino)ethyl 2-methylprop-2-enoate;phenylmethanamine?
The InChIKey is GRQVXYQBFIUKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C7H9N/c1-6(2)8(10)11-7(3)9(4)5;8-6-7-4-2-1-3-5-7/h7H,1H2,2-5H3;1-5H,6,8H2.
What are the key properties of 1-(dimethylamino)ethyl 2-methylprop-2-enoate;phenylmethanamine?
1-(dimethylamino)ethyl 2-methylprop-2-enoate;phenylmethanamine has a molecular weight of 264.37 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)ethyl 2-methylprop-2-enoate;phenylmethanamine is sourced from PubChem (CID 174596422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).