1-(3,4-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine

C13H19F2NO — CID 79574237

IUPAC1-(3,4-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
SMILESCCNC(COC(C)C)c1ccc(F)c(F)c1
InChIInChI=1S/C13H19F2NO/c1-4-16-13(8-17-9(2)3)10-5-6-11(14)12(15)7-10/h5-7,9,13,16H,4,8H2,1-3H3
InChIKeyJRSUWWNMNOWWSX-UHFFFAOYSA-N
MW243.30 g/mol
LogP3.04
Rot. Bonds6

About 1-(3,4-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine

1-(3,4-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine (PubChem CID 79574237) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
PubChem CID79574237
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name1-(3,4-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
SMILESCCNC(COC(C)C)c1ccc(F)c(F)c1
InChIInChI=1S/C13H19F2NO/c1-4-16-13(8-17-9(2)3)10-5-6-11(14)12(15)7-10/h5-7,9,13,16H,4,8H2,1-3H3
InChIKeyJRSUWWNMNOWWSX-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-fluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 79575549
N-ethyl-1-(3-fluorophenyl)-2-propan-2-yloxyethanamine
CID 79573891
1-(4-bromo-3-methylphenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 105013094
1-(2,5-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 79575096
N-ethyl-2-propan-2-yloxy-1-(2,4,6-trifluorophenyl)ethanamine
CID 105013108
1-(3-bromo-4-chlorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 113337160
1-(3,4-difluorophenyl)-N-ethyl-3-methylhexan-1-amine
CID 63413122
1-(4-bromo-2,6-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 105013295
1-(2,3-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 105013124
N-ethyl-1-(6-methyl-3-pyridinyl)-2-propan-2-yloxyethanamine
CID 105146359
N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 43493752
1-(3-chloro-4-fluorophenyl)-2-ethoxy-N-ethylethanamine
CID 79575550

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine (CID 79574237) is 1-(3,4-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine is CCNC(COC(C)C)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine?
The InChIKey is JRSUWWNMNOWWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-4-16-13(8-17-9(2)3)10-5-6-11(14)12(15)7-10/h5-7,9,13,16H,4,8H2,1-3H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine?
1-(3,4-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine has a molecular weight of 243.30 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine is sourced from PubChem (CID 79574237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).