N-[2-(2,4-difluorophenoxy)ethyl]-2-methylbutan-2-amine

C13H19F2NO — CID 62572855

IUPACN-[2-(2,4-difluorophenoxy)ethyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCCOc1ccc(F)cc1F
InChIInChI=1S/C13H19F2NO/c1-4-13(2,3)16-7-8-17-12-6-5-10(14)9-11(12)15/h5-6,9,16H,4,7-8H2,1-3H3
InChIKeyDUEWUSGELQWLLL-UHFFFAOYSA-N
MW243.30 g/mol
LogP3.12
Rot. Bonds6

About N-[2-(2,4-difluorophenoxy)ethyl]-2-methylbutan-2-amine

N-[2-(2,4-difluorophenoxy)ethyl]-2-methylbutan-2-amine (PubChem CID 62572855) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenoxy)ethyl]-2-methylbutan-2-amine.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenoxy)ethyl]-2-methylbutan-2-amine
PubChem CID62572855
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC NameN-[2-(2,4-difluorophenoxy)ethyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCCOc1ccc(F)cc1F
InChIInChI=1S/C13H19F2NO/c1-4-13(2,3)16-7-8-17-12-6-5-10(14)9-11(12)15/h5-6,9,16H,4,7-8H2,1-3H3
InChIKeyDUEWUSGELQWLLL-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-difluorophenoxy)-N-methylethanamine;hydrochloride
CID 86262296
N-[2-(2-ethoxyphenoxy)ethyl]-2-methylbutan-2-amine
CID 55088165
4-(2,4-difluorophenoxy)-2-methylbutan-2-ol
CID 79360243
2-methyl-N-[2-(2-methylsulfanylphenoxy)ethyl]butan-2-amine
CID 63649567
N-[2-(2,4-difluorophenoxy)ethyl]propanamide
CID 113102310
N-[2-(2-bromo-4-methylphenoxy)ethyl]-2-methylbutan-2-amine
CID 55092828
N-[2-(2-bromo-4-chloro-5-fluorophenoxy)ethyl]-2-methylbutan-2-amine
CID 114042841
1-(2,4-difluorophenoxy)-N,2-dimethylpropan-2-amine
CID 82126938
N-[2-(2,4-difluorophenoxy)ethyl]-3-methylbutan-2-amine
CID 55088305
2-butoxy-N-[2-(2,4-difluorophenoxy)ethyl]ethanamine
CID 55088257
N-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethyl]-2-methylbutan-2-amine
CID 103175670
4-tert-butyl-N-[2-(2,4-difluorophenoxy)ethyl]benzamide
CID 113102340

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenoxy)ethyl]-2-methylbutan-2-amine?
The IUPAC name of N-[2-(2,4-difluorophenoxy)ethyl]-2-methylbutan-2-amine (CID 62572855) is N-[2-(2,4-difluorophenoxy)ethyl]-2-methylbutan-2-amine.
What is the SMILES notation for N-[2-(2,4-difluorophenoxy)ethyl]-2-methylbutan-2-amine?
The canonical SMILES for N-[2-(2,4-difluorophenoxy)ethyl]-2-methylbutan-2-amine is CCC(C)(C)NCCOc1ccc(F)cc1F.
What is the InChIKey of N-[2-(2,4-difluorophenoxy)ethyl]-2-methylbutan-2-amine?
The InChIKey is DUEWUSGELQWLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-4-13(2,3)16-7-8-17-12-6-5-10(14)9-11(12)15/h5-6,9,16H,4,7-8H2,1-3H3.
What are the key properties of N-[2-(2,4-difluorophenoxy)ethyl]-2-methylbutan-2-amine?
N-[2-(2,4-difluorophenoxy)ethyl]-2-methylbutan-2-amine has a molecular weight of 243.30 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenoxy)ethyl]-2-methylbutan-2-amine is sourced from PubChem (CID 62572855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).