N-ethylethanamine;2-phenylacetic acid

C12H19NO2 — CID 143630479

IUPACN-ethylethanamine;2-phenylacetic acid
SMILESCCNCC.O=C(O)Cc1ccccc1
InChIInChI=1S/C8H8O2.C4H11N/c9-8(10)6-7-4-2-1-3-5-7;1-3-5-4-2/h1-5H,6H2,(H,9,10);5H,3-4H2,1-2H3
InChIKeySPJMGHIEXCXLTB-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.93
Rot. Bonds4

About N-ethylethanamine;2-phenylacetic acid

N-ethylethanamine;2-phenylacetic acid (PubChem CID 143630479) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-ethylethanamine;2-phenylacetic acid.

Molecular Properties

Compound NameN-ethylethanamine;2-phenylacetic acid
PubChem CID143630479
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-ethylethanamine;2-phenylacetic acid
SMILESCCNCC.O=C(O)Cc1ccccc1
InChIInChI=1S/C8H8O2.C4H11N/c9-8(10)6-7-4-2-1-3-5-7;1-3-5-4-2/h1-5H,6H2,(H,9,10);5H,3-4H2,1-2H3
InChIKeySPJMGHIEXCXLTB-UHFFFAOYSA-N
XLogP1.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenylacetic acid;propanedioic acid
CID 159349511
2-phenylacetic acid;silver
CID 50912513
2-phenylacetic acid;dihydrate
CID 168967514
copper 2-phenylacetic acid
CID 54609410
tris(2-phenylacetic acid);rhodium
CID 11168112
calcium;hydride;2-phenylacetic acid
CID 173132712
formaldehyde;2-phenylacetic acid
CID 70638018
3-oxobutanoic acid;2-phenylacetic acid
CID 91330939
naphthalene;2-phenylacetic acid
CID 174965541
2-(2-hydroxyethylamino)ethanol;2-phenylacetic acid
CID 86076042
ethane;methane;naphthalene;2-phenylacetic acid;propanoic acid
CID 159098387
chloro hypochlorite;2-phenylacetic acid
CID 174297587

Frequently Asked Questions

What is the IUPAC name of N-ethylethanamine;2-phenylacetic acid?
The IUPAC name of N-ethylethanamine;2-phenylacetic acid (CID 143630479) is N-ethylethanamine;2-phenylacetic acid.
What is the SMILES notation for N-ethylethanamine;2-phenylacetic acid?
The canonical SMILES for N-ethylethanamine;2-phenylacetic acid is CCNCC.O=C(O)Cc1ccccc1.
What is the InChIKey of N-ethylethanamine;2-phenylacetic acid?
The InChIKey is SPJMGHIEXCXLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.C4H11N/c9-8(10)6-7-4-2-1-3-5-7;1-3-5-4-2/h1-5H,6H2,(H,9,10);5H,3-4H2,1-2H3.
What are the key properties of N-ethylethanamine;2-phenylacetic acid?
N-ethylethanamine;2-phenylacetic acid has a molecular weight of 209.29 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanamine;2-phenylacetic acid is sourced from PubChem (CID 143630479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).