2,6-difluoro-N-(3-methoxypropyl)aniline

C10H13F2NO — CID 60926433

IUPAC2,6-difluoro-N-(3-methoxypropyl)aniline
SMILESCOCCCNc1c(F)cccc1F
InChIInChI=1S/C10H13F2NO/c1-14-7-3-6-13-10-8(11)4-2-5-9(10)12/h2,4-5,13H,3,6-7H2,1H3
InChIKeyFYRJHVOJJWMORD-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.41
Rot. Bonds5

About 2,6-difluoro-N-(3-methoxypropyl)aniline

2,6-difluoro-N-(3-methoxypropyl)aniline (PubChem CID 60926433) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 2,6-difluoro-N-(3-methoxypropyl)aniline.

Molecular Properties

Compound Name2,6-difluoro-N-(3-methoxypropyl)aniline
PubChem CID60926433
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2,6-difluoro-N-(3-methoxypropyl)aniline
SMILESCOCCCNc1c(F)cccc1F
InChIInChI=1S/C10H13F2NO/c1-14-7-3-6-13-10-8(11)4-2-5-9(10)12/h2,4-5,13H,3,6-7H2,1H3
InChIKeyFYRJHVOJJWMORD-UHFFFAOYSA-N
XLogP2.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.41
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

N,N'-bis(2,6-difluorophenyl)propane-1,3-diamine
CID 22968008
2,6-difluoro-N-(3-phenoxypropyl)aniline
CID 62937465
3-fluoro-2-N-(2-methoxyethyl)benzene-1,2-diamine
CID 53255758
N-[3-(4-ethylphenoxy)propyl]-2,6-difluoroaniline
CID 82096656
3-(2,6-difluoroanilino)propan-1-ol;ethane
CID 156637319
N'-(2,6-difluorophenyl)-N-(3-methoxypropyl)oxamide
CID 47224631
2,6-difluoro-N-propylaniline
CID 21161523
2,6-difluoro-N-(3-methoxy-3-methylbutyl)aniline
CID 102975625
2,3-difluoro-N-(3-methoxypropyl)benzamide
CID 62650844
methyl 3-(2,6-difluoroanilino)propanoate
CID 43365450
N-[(2,3-difluorophenyl)methyl]-3-methoxypropan-1-amine
CID 43234451
2-fluoro-6-isocyanato-N-(2-methoxyethyl)aniline
CID 169354140

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(3-methoxypropyl)aniline?
The IUPAC name of 2,6-difluoro-N-(3-methoxypropyl)aniline (CID 60926433) is 2,6-difluoro-N-(3-methoxypropyl)aniline.
What is the SMILES notation for 2,6-difluoro-N-(3-methoxypropyl)aniline?
The canonical SMILES for 2,6-difluoro-N-(3-methoxypropyl)aniline is COCCCNc1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-(3-methoxypropyl)aniline?
The InChIKey is FYRJHVOJJWMORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-14-7-3-6-13-10-8(11)4-2-5-9(10)12/h2,4-5,13H,3,6-7H2,1H3.
What are the key properties of 2,6-difluoro-N-(3-methoxypropyl)aniline?
2,6-difluoro-N-(3-methoxypropyl)aniline has a molecular weight of 201.22 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(3-methoxypropyl)aniline is sourced from PubChem (CID 60926433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).