2-methylpropan-2-amine;(E)-3-(2-phenylphenyl)prop-2-enoic acid

C19H23NO2 — CID 67199122

IUPAC2-methylpropan-2-amine;(E)-3-(2-phenylphenyl)prop-2-enoic acid
SMILESCC(C)(C)N.O=C(O)/C=C/c1ccccc1-c1ccccc1
InChIInChI=1S/C15H12O2.C4H11N/c16-15(17)11-10-13-8-4-5-9-14(13)12-6-2-1-3-7-12;1-4(2,3)5/h1-11H,(H,16,17);5H2,1-3H3/b11-10+;
InChIKeyMLLVVVVFGNCVOG-ASTDGNLGSA-N
MW297.40 g/mol
LogP4.20
Rot. Bonds3

About 2-methylpropan-2-amine;(E)-3-(2-phenylphenyl)prop-2-enoic acid

2-methylpropan-2-amine;(E)-3-(2-phenylphenyl)prop-2-enoic acid (PubChem CID 67199122) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-methylpropan-2-amine;(E)-3-(2-phenylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name2-methylpropan-2-amine;(E)-3-(2-phenylphenyl)prop-2-enoic acid
PubChem CID67199122
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name2-methylpropan-2-amine;(E)-3-(2-phenylphenyl)prop-2-enoic acid
SMILESCC(C)(C)N.O=C(O)/C=C/c1ccccc1-c1ccccc1
InChIInChI=1S/C15H12O2.C4H11N/c16-15(17)11-10-13-8-4-5-9-14(13)12-6-2-1-3-7-12;1-4(2,3)5/h1-11H,(H,16,17);5H2,1-3H3/b11-10+;
InChIKeyMLLVVVVFGNCVOG-ASTDGNLGSA-N
XLogP4.20
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropan-2-amine;(E)-3-(2-phenylphenyl)prop-2-enoic acid?
The IUPAC name of 2-methylpropan-2-amine;(E)-3-(2-phenylphenyl)prop-2-enoic acid (CID 67199122) is 2-methylpropan-2-amine;(E)-3-(2-phenylphenyl)prop-2-enoic acid.
What is the SMILES notation for 2-methylpropan-2-amine;(E)-3-(2-phenylphenyl)prop-2-enoic acid?
The canonical SMILES for 2-methylpropan-2-amine;(E)-3-(2-phenylphenyl)prop-2-enoic acid is CC(C)(C)N.O=C(O)/C=C/c1ccccc1-c1ccccc1.
What is the InChIKey of 2-methylpropan-2-amine;(E)-3-(2-phenylphenyl)prop-2-enoic acid?
The InChIKey is MLLVVVVFGNCVOG-ASTDGNLGSA-N. The full InChI is InChI=1S/C15H12O2.C4H11N/c16-15(17)11-10-13-8-4-5-9-14(13)12-6-2-1-3-7-12;1-4(2,3)5/h1-11H,(H,16,17);5H2,1-3H3/b11-10+;.
What are the key properties of 2-methylpropan-2-amine;(E)-3-(2-phenylphenyl)prop-2-enoic acid?
2-methylpropan-2-amine;(E)-3-(2-phenylphenyl)prop-2-enoic acid has a molecular weight of 297.40 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropan-2-amine;(E)-3-(2-phenylphenyl)prop-2-enoic acid is sourced from PubChem (CID 67199122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).