3,5-difluoro-4-methoxy-N-(2-phenylethyl)aniline

C15H15F2NO — CID 142475732

IUPAC3,5-difluoro-4-methoxy-N-(2-phenylethyl)aniline
SMILESCOc1c(F)cc(NCCc2ccccc2)cc1F
InChIInChI=1S/C15H15F2NO/c1-19-15-13(16)9-12(10-14(15)17)18-8-7-11-5-3-2-4-6-11/h2-6,9-10,18H,7-8H2,1H3
InChIKeyPXUABOWIUVAYCR-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.63
Rot. Bonds5

About 3,5-difluoro-4-methoxy-N-(2-phenylethyl)aniline

3,5-difluoro-4-methoxy-N-(2-phenylethyl)aniline (PubChem CID 142475732) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is 3,5-difluoro-4-methoxy-N-(2-phenylethyl)aniline.

Molecular Properties

Compound Name3,5-difluoro-4-methoxy-N-(2-phenylethyl)aniline
PubChem CID142475732
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name3,5-difluoro-4-methoxy-N-(2-phenylethyl)aniline
SMILESCOc1c(F)cc(NCCc2ccccc2)cc1F
InChIInChI=1S/C15H15F2NO/c1-19-15-13(16)9-12(10-14(15)17)18-8-7-11-5-3-2-4-6-11/h2-6,9-10,18H,7-8H2,1H3
InChIKeyPXUABOWIUVAYCR-UHFFFAOYSA-N
XLogP3.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

ethane;N-(2-phenylethyl)aniline
CID 91194556
1-(3,5-difluoro-4-methoxyphenyl)-3-(4-phenylbutan-2-yl)urea
CID 60543351
N'-[2-(3-fluoro-4,5-dimethoxyphenyl)ethyl]-N-(2-phenylethyl)hexanediamide
CID 19838083
4-(methoxymethyl)-N-(2-phenylethyl)aniline
CID 83961080
3,5-dimethoxy-N-(4-phenylbutyl)aniline
CID 114333116
1-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine
CID 83962401
1,3-difluoro-2-methoxy-5-phenylbenzene
CID 164892027
N'-(3-methoxyphenyl)-N-(2-phenylethyl)ethane-1,2-diamine
CID 54806868
2,6-difluoro-3-methyl-N-(2-phenylethyl)aniline
CID 82816277
methyl 4-(2-phenylethylamino)benzoate
CID 43217242
3,4-diethoxy-N-(2-phenylethyl)aniline
CID 29291848
3-ethoxy-N-(2-phenylethyl)aniline
CID 13391245

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-methoxy-N-(2-phenylethyl)aniline?
The IUPAC name of 3,5-difluoro-4-methoxy-N-(2-phenylethyl)aniline (CID 142475732) is 3,5-difluoro-4-methoxy-N-(2-phenylethyl)aniline.
What is the SMILES notation for 3,5-difluoro-4-methoxy-N-(2-phenylethyl)aniline?
The canonical SMILES for 3,5-difluoro-4-methoxy-N-(2-phenylethyl)aniline is COc1c(F)cc(NCCc2ccccc2)cc1F.
What is the InChIKey of 3,5-difluoro-4-methoxy-N-(2-phenylethyl)aniline?
The InChIKey is PXUABOWIUVAYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c1-19-15-13(16)9-12(10-14(15)17)18-8-7-11-5-3-2-4-6-11/h2-6,9-10,18H,7-8H2,1H3.
What are the key properties of 3,5-difluoro-4-methoxy-N-(2-phenylethyl)aniline?
3,5-difluoro-4-methoxy-N-(2-phenylethyl)aniline has a molecular weight of 263.29 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-methoxy-N-(2-phenylethyl)aniline is sourced from PubChem (CID 142475732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).