N-[3-(4-ethylphenoxy)propyl]-2,6-difluoroaniline

C17H19F2NO — CID 82096656

IUPACN-[3-(4-ethylphenoxy)propyl]-2,6-difluoroaniline
SMILESCCc1ccc(OCCCNc2c(F)cccc2F)cc1
InChIInChI=1S/C17H19F2NO/c1-2-13-7-9-14(10-8-13)21-12-4-11-20-17-15(18)5-3-6-16(17)19/h3,5-10,20H,2,4,11-12H2,1H3
InChIKeyWCMLYJCIVWWXBG-UHFFFAOYSA-N
MW291.34 g/mol
LogP4.41
Rot. Bonds7

About N-[3-(4-ethylphenoxy)propyl]-2,6-difluoroaniline

N-[3-(4-ethylphenoxy)propyl]-2,6-difluoroaniline (PubChem CID 82096656) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is N-[3-(4-ethylphenoxy)propyl]-2,6-difluoroaniline.

Molecular Properties

Compound NameN-[3-(4-ethylphenoxy)propyl]-2,6-difluoroaniline
PubChem CID82096656
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC NameN-[3-(4-ethylphenoxy)propyl]-2,6-difluoroaniline
SMILESCCc1ccc(OCCCNc2c(F)cccc2F)cc1
InChIInChI=1S/C17H19F2NO/c1-2-13-7-9-14(10-8-13)21-12-4-11-20-17-15(18)5-3-6-16(17)19/h3,5-10,20H,2,4,11-12H2,1H3
InChIKeyWCMLYJCIVWWXBG-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 54.41
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

2,6-difluoro-N-(3-phenoxypropyl)aniline
CID 62937465
2-ethyl-N-[3-(4-ethylphenoxy)propyl]-6-methylaniline
CID 82096293
2,6-difluoro-N-(3-methoxypropyl)aniline
CID 60926433
N-[3-(4-ethylphenoxy)propyl]-4-methylaniline
CID 82096367
N-[2-(4-ethylphenoxy)ethyl]aniline
CID 54796136
N,N'-bis(2,6-difluorophenyl)propane-1,3-diamine
CID 22968008
N-[2-(4-ethylphenoxy)ethyl]-4-(2-phenylethoxy)aniline
CID 54800211
N-ethyl-2-(4-ethylphenoxy)ethanamine;hydrochloride
CID 75531601
N-[2-(4-ethylphenoxy)ethyl]-2-methylaniline
CID 62572127
N-[2-(4-ethylphenoxy)ethyl]-2-(3-fluorophenyl)acetamide
CID 113100102
N-[2-(4-ethylphenoxy)ethyl]hexan-1-amine
CID 55195709
N-[2-(4-ethylphenoxy)ethyl]-3,3-dimethylbutan-1-amine
CID 62572737

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylphenoxy)propyl]-2,6-difluoroaniline?
The IUPAC name of N-[3-(4-ethylphenoxy)propyl]-2,6-difluoroaniline (CID 82096656) is N-[3-(4-ethylphenoxy)propyl]-2,6-difluoroaniline.
What is the SMILES notation for N-[3-(4-ethylphenoxy)propyl]-2,6-difluoroaniline?
The canonical SMILES for N-[3-(4-ethylphenoxy)propyl]-2,6-difluoroaniline is CCc1ccc(OCCCNc2c(F)cccc2F)cc1.
What is the InChIKey of N-[3-(4-ethylphenoxy)propyl]-2,6-difluoroaniline?
The InChIKey is WCMLYJCIVWWXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-2-13-7-9-14(10-8-13)21-12-4-11-20-17-15(18)5-3-6-16(17)19/h3,5-10,20H,2,4,11-12H2,1H3.
What are the key properties of N-[3-(4-ethylphenoxy)propyl]-2,6-difluoroaniline?
N-[3-(4-ethylphenoxy)propyl]-2,6-difluoroaniline has a molecular weight of 291.34 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylphenoxy)propyl]-2,6-difluoroaniline is sourced from PubChem (CID 82096656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).