N-ethyl-2,2-difluoro-N-methyl-3-pentoxypropan-1-amine

C11H23F2NO — CID 156523665

IUPACN-ethyl-2,2-difluoro-N-methyl-3-pentoxypropan-1-amine
SMILESCCCCCOCC(F)(F)CN(C)CC
InChIInChI=1S/C11H23F2NO/c1-4-6-7-8-15-10-11(12,13)9-14(3)5-2/h4-10H2,1-3H3
InChIKeyADHOPKHSEIAMBY-UHFFFAOYSA-N
MW223.31 g/mol
LogP2.78
Rot. Bonds9

About N-ethyl-2,2-difluoro-N-methyl-3-pentoxypropan-1-amine

N-ethyl-2,2-difluoro-N-methyl-3-pentoxypropan-1-amine (PubChem CID 156523665) has the molecular formula C11H23F2NO and a molecular weight of 223.31 g/mol. Its IUPAC name is N-ethyl-2,2-difluoro-N-methyl-3-pentoxypropan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-difluoro-N-methyl-3-pentoxypropan-1-amine
PubChem CID156523665
Molecular FormulaC11H23F2NO
Molecular Weight223.31 g/mol
Exact Mass223.17
IUPAC NameN-ethyl-2,2-difluoro-N-methyl-3-pentoxypropan-1-amine
SMILESCCCCCOCC(F)(F)CN(C)CC
InChIInChI=1S/C11H23F2NO/c1-4-6-7-8-15-10-11(12,13)9-14(3)5-2/h4-10H2,1-3H3
InChIKeyADHOPKHSEIAMBY-UHFFFAOYSA-N
XLogP2.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-difluoro-N-methyl-3-pentoxypropan-1-amine?
The IUPAC name of N-ethyl-2,2-difluoro-N-methyl-3-pentoxypropan-1-amine (CID 156523665) is N-ethyl-2,2-difluoro-N-methyl-3-pentoxypropan-1-amine.
What is the SMILES notation for N-ethyl-2,2-difluoro-N-methyl-3-pentoxypropan-1-amine?
The canonical SMILES for N-ethyl-2,2-difluoro-N-methyl-3-pentoxypropan-1-amine is CCCCCOCC(F)(F)CN(C)CC.
What is the InChIKey of N-ethyl-2,2-difluoro-N-methyl-3-pentoxypropan-1-amine?
The InChIKey is ADHOPKHSEIAMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F2NO/c1-4-6-7-8-15-10-11(12,13)9-14(3)5-2/h4-10H2,1-3H3.
What are the key properties of N-ethyl-2,2-difluoro-N-methyl-3-pentoxypropan-1-amine?
N-ethyl-2,2-difluoro-N-methyl-3-pentoxypropan-1-amine has a molecular weight of 223.31 g/mol, XLogP of 2.78, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-difluoro-N-methyl-3-pentoxypropan-1-amine is sourced from PubChem (CID 156523665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).