3,5-difluoro-N-(1-phenylethyl)aniline

C14H13F2N — CID 43195985

IUPAC3,5-difluoro-N-(1-phenylethyl)aniline
SMILESCC(Nc1cc(F)cc(F)c1)c1ccccc1
InChIInChI=1S/C14H13F2N/c1-10(11-5-3-2-4-6-11)17-14-8-12(15)7-13(16)9-14/h2-10,17H,1H3
InChIKeyZBQUPYXCYNKMEP-UHFFFAOYSA-N
MW233.26 g/mol
LogP4.14
Rot. Bonds3

About 3,5-difluoro-N-(1-phenylethyl)aniline

3,5-difluoro-N-(1-phenylethyl)aniline (PubChem CID 43195985) has the molecular formula C14H13F2N and a molecular weight of 233.26 g/mol. Its IUPAC name is 3,5-difluoro-N-(1-phenylethyl)aniline.

Molecular Properties

Compound Name3,5-difluoro-N-(1-phenylethyl)aniline
PubChem CID43195985
Molecular FormulaC14H13F2N
Molecular Weight233.26 g/mol
Exact Mass233.10
IUPAC Name3,5-difluoro-N-(1-phenylethyl)aniline
SMILESCC(Nc1cc(F)cc(F)c1)c1ccccc1
InChIInChI=1S/C14H13F2N/c1-10(11-5-3-2-4-6-11)17-14-8-12(15)7-13(16)9-14/h2-10,17H,1H3
InChIKeyZBQUPYXCYNKMEP-UHFFFAOYSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-3,5-difluoroaniline
CID 43106541
N-[1-(3-chlorophenyl)ethyl]-3,5-difluoroaniline
CID 43094786
N-[1-(4-tert-butylphenyl)ethyl]-3,5-difluoroaniline
CID 43100376
N-[1-(4-ethylphenyl)ethyl]-3,5-difluoroaniline
CID 43108323
3-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43178604
N-[4-[(1S)-1-(3,5-difluoroanilino)ethyl]phenyl]ethanesulfonamide
CID 97306800
4-[1-(3-fluoro-5-methylanilino)ethyl]phenol
CID 79054695
3,5-difluoro-N-(1-phenylbutyl)aniline
CID 43095450
2,5-difluoro-N-(1-phenylethyl)aniline
CID 43178058
3,4-dichloro-N-(1-phenylethyl)aniline
CID 43082168
4-fluoro-N-(1-phenylethyl)-3-(trifluoromethyl)aniline
CID 63455608
N-[1-(4-ethylphenyl)ethyl]-3-fluoro-5-methylaniline
CID 79054943

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(1-phenylethyl)aniline?
The IUPAC name of 3,5-difluoro-N-(1-phenylethyl)aniline (CID 43195985) is 3,5-difluoro-N-(1-phenylethyl)aniline.
What is the SMILES notation for 3,5-difluoro-N-(1-phenylethyl)aniline?
The canonical SMILES for 3,5-difluoro-N-(1-phenylethyl)aniline is CC(Nc1cc(F)cc(F)c1)c1ccccc1.
What is the InChIKey of 3,5-difluoro-N-(1-phenylethyl)aniline?
The InChIKey is ZBQUPYXCYNKMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N/c1-10(11-5-3-2-4-6-11)17-14-8-12(15)7-13(16)9-14/h2-10,17H,1H3.
What are the key properties of 3,5-difluoro-N-(1-phenylethyl)aniline?
3,5-difluoro-N-(1-phenylethyl)aniline has a molecular weight of 233.26 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-(1-phenylethyl)aniline is sourced from PubChem (CID 43195985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).