2-[[ethyl(fluoro)amino]methyl]-3-methyl-N-phenyloxolan-2-amine

C14H21FN2O — CID 88657896

IUPAC2-[[ethyl(fluoro)amino]methyl]-3-methyl-N-phenyloxolan-2-amine
SMILESCCN(F)CC1(Nc2ccccc2)OCCC1C
InChIInChI=1S/C14H21FN2O/c1-3-17(15)11-14(12(2)9-10-18-14)16-13-7-5-4-6-8-13/h4-8,12,16H,3,9-11H2,1-2H3
InChIKeyNKPKRDZEZKGQOO-UHFFFAOYSA-N
MW252.33 g/mol
LogP3.06
Rot. Bonds5

About 2-[[ethyl(fluoro)amino]methyl]-3-methyl-N-phenyloxolan-2-amine

2-[[ethyl(fluoro)amino]methyl]-3-methyl-N-phenyloxolan-2-amine (PubChem CID 88657896) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-[[ethyl(fluoro)amino]methyl]-3-methyl-N-phenyloxolan-2-amine.

Molecular Properties

Compound Name2-[[ethyl(fluoro)amino]methyl]-3-methyl-N-phenyloxolan-2-amine
PubChem CID88657896
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-[[ethyl(fluoro)amino]methyl]-3-methyl-N-phenyloxolan-2-amine
SMILESCCN(F)CC1(Nc2ccccc2)OCCC1C
InChIInChI=1S/C14H21FN2O/c1-3-17(15)11-14(12(2)9-10-18-14)16-13-7-5-4-6-8-13/h4-8,12,16H,3,9-11H2,1-2H3
InChIKeyNKPKRDZEZKGQOO-UHFFFAOYSA-N
XLogP3.06
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(fluoro)amino]methyl]-3-methyl-N-phenyloxolan-2-amine?
The IUPAC name of 2-[[ethyl(fluoro)amino]methyl]-3-methyl-N-phenyloxolan-2-amine (CID 88657896) is 2-[[ethyl(fluoro)amino]methyl]-3-methyl-N-phenyloxolan-2-amine.
What is the SMILES notation for 2-[[ethyl(fluoro)amino]methyl]-3-methyl-N-phenyloxolan-2-amine?
The canonical SMILES for 2-[[ethyl(fluoro)amino]methyl]-3-methyl-N-phenyloxolan-2-amine is CCN(F)CC1(Nc2ccccc2)OCCC1C.
What is the InChIKey of 2-[[ethyl(fluoro)amino]methyl]-3-methyl-N-phenyloxolan-2-amine?
The InChIKey is NKPKRDZEZKGQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-3-17(15)11-14(12(2)9-10-18-14)16-13-7-5-4-6-8-13/h4-8,12,16H,3,9-11H2,1-2H3.
What are the key properties of 2-[[ethyl(fluoro)amino]methyl]-3-methyl-N-phenyloxolan-2-amine?
2-[[ethyl(fluoro)amino]methyl]-3-methyl-N-phenyloxolan-2-amine has a molecular weight of 252.33 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(fluoro)amino]methyl]-3-methyl-N-phenyloxolan-2-amine is sourced from PubChem (CID 88657896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).