N-(2-ethyl-4-formylphenyl)formamide;N-methyl-N-(2,2,2-trifluoroethyl)cyclopropanamine

C16H21F3N2O2 — CID 170980293

IUPACN-(2-ethyl-4-formylphenyl)formamide;N-methyl-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESCCc1cc(C=O)ccc1NC=O.CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H11NO2.C6H10F3N/c1-2-9-5-8(6-12)3-4-10(9)11-7-13;1-10(5-2-3-5)4-6(7,8)9/h3-7H,2H2,1H3,(H,11,13);5H,2-4H2,1H3
InChIKeyUHQNKVFWPVSNME-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.27
Rot. Bonds6

About N-(2-ethyl-4-formylphenyl)formamide;N-methyl-N-(2,2,2-trifluoroethyl)cyclopropanamine

N-(2-ethyl-4-formylphenyl)formamide;N-methyl-N-(2,2,2-trifluoroethyl)cyclopropanamine (PubChem CID 170980293) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is N-(2-ethyl-4-formylphenyl)formamide;N-methyl-N-(2,2,2-trifluoroethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-ethyl-4-formylphenyl)formamide;N-methyl-N-(2,2,2-trifluoroethyl)cyclopropanamine
PubChem CID170980293
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC NameN-(2-ethyl-4-formylphenyl)formamide;N-methyl-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESCCc1cc(C=O)ccc1NC=O.CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H11NO2.C6H10F3N/c1-2-9-5-8(6-12)3-4-10(9)11-7-13;1-10(5-2-3-5)4-6(7,8)9/h3-7H,2H2,1H3,(H,11,13);5H,2-4H2,1H3
InChIKeyUHQNKVFWPVSNME-UHFFFAOYSA-N
XLogP3.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-4-formylphenyl)formamide;N-methyl-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The IUPAC name of N-(2-ethyl-4-formylphenyl)formamide;N-methyl-N-(2,2,2-trifluoroethyl)cyclopropanamine (CID 170980293) is N-(2-ethyl-4-formylphenyl)formamide;N-methyl-N-(2,2,2-trifluoroethyl)cyclopropanamine.
What is the SMILES notation for N-(2-ethyl-4-formylphenyl)formamide;N-methyl-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The canonical SMILES for N-(2-ethyl-4-formylphenyl)formamide;N-methyl-N-(2,2,2-trifluoroethyl)cyclopropanamine is CCc1cc(C=O)ccc1NC=O.CN(CC(F)(F)F)C1CC1.
What is the InChIKey of N-(2-ethyl-4-formylphenyl)formamide;N-methyl-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The InChIKey is UHQNKVFWPVSNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2.C6H10F3N/c1-2-9-5-8(6-12)3-4-10(9)11-7-13;1-10(5-2-3-5)4-6(7,8)9/h3-7H,2H2,1H3,(H,11,13);5H,2-4H2,1H3.
What are the key properties of N-(2-ethyl-4-formylphenyl)formamide;N-methyl-N-(2,2,2-trifluoroethyl)cyclopropanamine?
N-(2-ethyl-4-formylphenyl)formamide;N-methyl-N-(2,2,2-trifluoroethyl)cyclopropanamine has a molecular weight of 330.35 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-4-formylphenyl)formamide;N-methyl-N-(2,2,2-trifluoroethyl)cyclopropanamine is sourced from PubChem (CID 170980293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).