methyl formate;2-propylaniline

C11H17NO2 — CID 174944298

IUPACmethyl formate;2-propylaniline
SMILESCCCc1ccccc1N.COC=O
InChIInChI=1S/C9H13N.C2H4O2/c1-2-5-8-6-3-4-7-9(8)10;1-4-2-3/h3-4,6-7H,2,5,10H2,1H3;2H,1H3
InChIKeyQVZDDUXGWGVETH-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.01
Rot. Bonds3

About methyl formate;2-propylaniline

methyl formate;2-propylaniline (PubChem CID 174944298) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is methyl formate;2-propylaniline.

Molecular Properties

Compound Namemethyl formate;2-propylaniline
PubChem CID174944298
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Namemethyl formate;2-propylaniline
SMILESCCCc1ccccc1N.COC=O
InChIInChI=1S/C9H13N.C2H4O2/c1-2-5-8-6-3-4-7-9(8)10;1-4-2-3/h3-4,6-7H,2,5,10H2,1H3;2H,1H3
InChIKeyQVZDDUXGWGVETH-UHFFFAOYSA-N
XLogP2.01
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl formate;2-propylaniline?
The IUPAC name of methyl formate;2-propylaniline (CID 174944298) is methyl formate;2-propylaniline.
What is the SMILES notation for methyl formate;2-propylaniline?
The canonical SMILES for methyl formate;2-propylaniline is CCCc1ccccc1N.COC=O.
What is the InChIKey of methyl formate;2-propylaniline?
The InChIKey is QVZDDUXGWGVETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.C2H4O2/c1-2-5-8-6-3-4-7-9(8)10;1-4-2-3/h3-4,6-7H,2,5,10H2,1H3;2H,1H3.
What are the key properties of methyl formate;2-propylaniline?
methyl formate;2-propylaniline has a molecular weight of 195.26 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl formate;2-propylaniline is sourced from PubChem (CID 174944298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).