formic acid;N-methyl-2-phenylethanamine

C10H15NO2 — CID 68681314

IUPACformic acid;N-methyl-2-phenylethanamine
SMILESCNCCc1ccccc1.O=CO
InChIInChI=1S/C9H13N.CH2O2/c1-10-8-7-9-5-3-2-4-6-9;2-1-3/h2-6,10H,7-8H2,1H3;1H,(H,2,3)
InChIKeyRQBPENWFKQAPFB-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.15
Rot. Bonds3

About formic acid;N-methyl-2-phenylethanamine

formic acid;N-methyl-2-phenylethanamine (PubChem CID 68681314) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is formic acid;N-methyl-2-phenylethanamine.

Molecular Properties

Compound Nameformic acid;N-methyl-2-phenylethanamine
PubChem CID68681314
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Nameformic acid;N-methyl-2-phenylethanamine
SMILESCNCCc1ccccc1.O=CO
InChIInChI=1S/C9H13N.CH2O2/c1-10-8-7-9-5-3-2-4-6-9;2-1-3/h2-6,10H,7-8H2,1H3;1H,(H,2,3)
InChIKeyRQBPENWFKQAPFB-UHFFFAOYSA-N
XLogP1.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formic acid;N-methyl-2-phenylethanamine?
The IUPAC name of formic acid;N-methyl-2-phenylethanamine (CID 68681314) is formic acid;N-methyl-2-phenylethanamine.
What is the SMILES notation for formic acid;N-methyl-2-phenylethanamine?
The canonical SMILES for formic acid;N-methyl-2-phenylethanamine is CNCCc1ccccc1.O=CO.
What is the InChIKey of formic acid;N-methyl-2-phenylethanamine?
The InChIKey is RQBPENWFKQAPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.CH2O2/c1-10-8-7-9-5-3-2-4-6-9;2-1-3/h2-6,10H,7-8H2,1H3;1H,(H,2,3).
What are the key properties of formic acid;N-methyl-2-phenylethanamine?
formic acid;N-methyl-2-phenylethanamine has a molecular weight of 181.23 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-methyl-2-phenylethanamine is sourced from PubChem (CID 68681314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).