N-[1-(2,5-difluorophenyl)-2,2-dimethoxyethyl]propan-1-amine

C13H19F2NO2 — CID 79493374

IUPACN-[1-(2,5-difluorophenyl)-2,2-dimethoxyethyl]propan-1-amine
SMILESCCCNC(c1cc(F)ccc1F)C(OC)OC
InChIInChI=1S/C13H19F2NO2/c1-4-7-16-12(13(17-2)18-3)10-8-9(14)5-6-11(10)15/h5-6,8,12-13,16H,4,7H2,1-3H3
InChIKeyRLISJFFTWGPSEI-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.62
Rot. Bonds7

About N-[1-(2,5-difluorophenyl)-2,2-dimethoxyethyl]propan-1-amine

N-[1-(2,5-difluorophenyl)-2,2-dimethoxyethyl]propan-1-amine (PubChem CID 79493374) has the molecular formula C13H19F2NO2 and a molecular weight of 259.30 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)-2,2-dimethoxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)-2,2-dimethoxyethyl]propan-1-amine
PubChem CID79493374
Molecular FormulaC13H19F2NO2
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC NameN-[1-(2,5-difluorophenyl)-2,2-dimethoxyethyl]propan-1-amine
SMILESCCCNC(c1cc(F)ccc1F)C(OC)OC
InChIInChI=1S/C13H19F2NO2/c1-4-7-16-12(13(17-2)18-3)10-8-9(14)5-6-11(10)15/h5-6,8,12-13,16H,4,7H2,1-3H3
InChIKeyRLISJFFTWGPSEI-UHFFFAOYSA-N
XLogP2.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine
CID 24705464
N-[2,2-dimethoxy-1-(2-methoxyphenyl)ethyl]propan-1-amine
CID 79493375
N-[1-(3-fluoro-4-pyridinyl)-2,2-dimethoxyethyl]propan-1-amine
CID 104738508
N-[(2-bromo-4-fluorophenyl)-(2,5-difluorophenyl)methyl]propan-1-amine
CID 43495714
N-[(2-chloro-4-fluorophenyl)-(2,5-difluorophenyl)methyl]propan-1-amine
CID 43495680
N-[(2-chloro-5-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 105397398
N-[(5-chloro-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 114886623
N-[(2-bromofuran-3-yl)-(2,5-difluorophenyl)methyl]propan-1-amine
CID 106851680
N-[bis(2,4-difluorophenyl)methyl]propan-1-amine
CID 43496293
1-(2-chloro-5-fluorophenyl)-2-methyl-N-propylbutan-1-amine
CID 105394946
1-(2,5-difluorophenyl)-3-ethyl-N-propylpentan-1-amine
CID 82922427
N-[(2,5-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 66475348

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)-2,2-dimethoxyethyl]propan-1-amine?
The IUPAC name of N-[1-(2,5-difluorophenyl)-2,2-dimethoxyethyl]propan-1-amine (CID 79493374) is N-[1-(2,5-difluorophenyl)-2,2-dimethoxyethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)-2,2-dimethoxyethyl]propan-1-amine?
The canonical SMILES for N-[1-(2,5-difluorophenyl)-2,2-dimethoxyethyl]propan-1-amine is CCCNC(c1cc(F)ccc1F)C(OC)OC.
What is the InChIKey of N-[1-(2,5-difluorophenyl)-2,2-dimethoxyethyl]propan-1-amine?
The InChIKey is RLISJFFTWGPSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO2/c1-4-7-16-12(13(17-2)18-3)10-8-9(14)5-6-11(10)15/h5-6,8,12-13,16H,4,7H2,1-3H3.
What are the key properties of N-[1-(2,5-difluorophenyl)-2,2-dimethoxyethyl]propan-1-amine?
N-[1-(2,5-difluorophenyl)-2,2-dimethoxyethyl]propan-1-amine has a molecular weight of 259.30 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluorophenyl)-2,2-dimethoxyethyl]propan-1-amine is sourced from PubChem (CID 79493374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).