2-(dimethylamino)ethyl prop-2-enoate;phenylmethanamine;hydrochloride

C14H23ClN2O2 — CID 174580927

IUPAC2-(dimethylamino)ethyl prop-2-enoate;phenylmethanamine;hydrochloride
SMILESC=CC(=O)OCCN(C)C.Cl.NCc1ccccc1
InChIInChI=1S/C7H13NO2.C7H9N.ClH/c1-4-7(9)10-6-5-8(2)3;8-6-7-4-2-1-3-5-7;/h4H,1,5-6H2,2-3H3;1-5H,6,8H2;1H
InChIKeyLVAVENFODUFSOQ-UHFFFAOYSA-N
MW286.80 g/mol
LogP1.84
Rot. Bonds5

About 2-(dimethylamino)ethyl prop-2-enoate;phenylmethanamine;hydrochloride

2-(dimethylamino)ethyl prop-2-enoate;phenylmethanamine;hydrochloride (PubChem CID 174580927) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl prop-2-enoate;phenylmethanamine;hydrochloride.

Molecular Properties

Compound Name2-(dimethylamino)ethyl prop-2-enoate;phenylmethanamine;hydrochloride
PubChem CID174580927
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name2-(dimethylamino)ethyl prop-2-enoate;phenylmethanamine;hydrochloride
SMILESC=CC(=O)OCCN(C)C.Cl.NCc1ccccc1
InChIInChI=1S/C7H13NO2.C7H9N.ClH/c1-4-7(9)10-6-5-8(2)3;8-6-7-4-2-1-3-5-7;/h4H,1,5-6H2,2-3H3;1-5H,6,8H2;1H
InChIKeyLVAVENFODUFSOQ-UHFFFAOYSA-N
XLogP1.84
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

magnesium;2-(dimethylamino)ethyl prop-2-enoate;methanidylbenzene;chloride
CID 174747752
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2-(dibenzylamino)ethyl prop-2-enoate
CID 18943210
bromoethane;2-(dimethylamino)ethyl prop-2-enoate
CID 174957893
2-(dimethylamino)ethyl 2-phenylacetate;hydrochloride
CID 2930131
4-(dimethylamino)-2-methylidenebutanoic acid;phenylmethanamine;hydrochloride
CID 175003211
CID 174984966
CID 174984966
2-(dimethylamino)ethyl 2-benzyl-3-phenylpropanoate;hydrochloride
CID 24834682
2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;styrene
CID 174493800
benzyl prop-2-enoate;2-phenylethyl prop-2-enoate
CID 159252010
2-(4-benzylphenyl)ethyl prop-2-enoate
CID 18316835
benzyl prop-2-enoate;but-2-enedioic acid
CID 70273802

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl prop-2-enoate;phenylmethanamine;hydrochloride?
The IUPAC name of 2-(dimethylamino)ethyl prop-2-enoate;phenylmethanamine;hydrochloride (CID 174580927) is 2-(dimethylamino)ethyl prop-2-enoate;phenylmethanamine;hydrochloride.
What is the SMILES notation for 2-(dimethylamino)ethyl prop-2-enoate;phenylmethanamine;hydrochloride?
The canonical SMILES for 2-(dimethylamino)ethyl prop-2-enoate;phenylmethanamine;hydrochloride is C=CC(=O)OCCN(C)C.Cl.NCc1ccccc1.
What is the InChIKey of 2-(dimethylamino)ethyl prop-2-enoate;phenylmethanamine;hydrochloride?
The InChIKey is LVAVENFODUFSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.C7H9N.ClH/c1-4-7(9)10-6-5-8(2)3;8-6-7-4-2-1-3-5-7;/h4H,1,5-6H2,2-3H3;1-5H,6,8H2;1H.
What are the key properties of 2-(dimethylamino)ethyl prop-2-enoate;phenylmethanamine;hydrochloride?
2-(dimethylamino)ethyl prop-2-enoate;phenylmethanamine;hydrochloride has a molecular weight of 286.80 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl prop-2-enoate;phenylmethanamine;hydrochloride is sourced from PubChem (CID 174580927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).