N-methyl-2-(2,2,3,3,3-pentafluoropropoxy)-2-phenylethanamine

C12H14F5NO — CID 103725392

IUPACN-methyl-2-(2,2,3,3,3-pentafluoropropoxy)-2-phenylethanamine
SMILESCNCC(OCC(F)(F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C12H14F5NO/c1-18-7-10(9-5-3-2-4-6-9)19-8-11(13,14)12(15,16)17/h2-6,10,18H,7-8H2,1H3
InChIKeyHBBLJMOXGXNZIC-UHFFFAOYSA-N
MW283.24 g/mol
LogP3.16
Rot. Bonds6

About N-methyl-2-(2,2,3,3,3-pentafluoropropoxy)-2-phenylethanamine

N-methyl-2-(2,2,3,3,3-pentafluoropropoxy)-2-phenylethanamine (PubChem CID 103725392) has the molecular formula C12H14F5NO and a molecular weight of 283.24 g/mol. Its IUPAC name is N-methyl-2-(2,2,3,3,3-pentafluoropropoxy)-2-phenylethanamine.

Molecular Properties

Compound NameN-methyl-2-(2,2,3,3,3-pentafluoropropoxy)-2-phenylethanamine
PubChem CID103725392
Molecular FormulaC12H14F5NO
Molecular Weight283.24 g/mol
Exact Mass283.10
IUPAC NameN-methyl-2-(2,2,3,3,3-pentafluoropropoxy)-2-phenylethanamine
SMILESCNCC(OCC(F)(F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C12H14F5NO/c1-18-7-10(9-5-3-2-4-6-9)19-8-11(13,14)12(15,16)17/h2-6,10,18H,7-8H2,1H3
InChIKeyHBBLJMOXGXNZIC-UHFFFAOYSA-N
XLogP3.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2,2,3,3,3-pentafluoropropoxy)-2-phenylethanamine?
The IUPAC name of N-methyl-2-(2,2,3,3,3-pentafluoropropoxy)-2-phenylethanamine (CID 103725392) is N-methyl-2-(2,2,3,3,3-pentafluoropropoxy)-2-phenylethanamine.
What is the SMILES notation for N-methyl-2-(2,2,3,3,3-pentafluoropropoxy)-2-phenylethanamine?
The canonical SMILES for N-methyl-2-(2,2,3,3,3-pentafluoropropoxy)-2-phenylethanamine is CNCC(OCC(F)(F)C(F)(F)F)c1ccccc1.
What is the InChIKey of N-methyl-2-(2,2,3,3,3-pentafluoropropoxy)-2-phenylethanamine?
The InChIKey is HBBLJMOXGXNZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F5NO/c1-18-7-10(9-5-3-2-4-6-9)19-8-11(13,14)12(15,16)17/h2-6,10,18H,7-8H2,1H3.
What are the key properties of N-methyl-2-(2,2,3,3,3-pentafluoropropoxy)-2-phenylethanamine?
N-methyl-2-(2,2,3,3,3-pentafluoropropoxy)-2-phenylethanamine has a molecular weight of 283.24 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2,2,3,3,3-pentafluoropropoxy)-2-phenylethanamine is sourced from PubChem (CID 103725392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).