3-fluoro-N-[1-(2-fluorophenyl)ethyl]-4-methylaniline

C15H15F2N — CID 43195584

IUPAC3-fluoro-N-[1-(2-fluorophenyl)ethyl]-4-methylaniline
SMILESCc1ccc(NC(C)c2ccccc2F)cc1F
InChIInChI=1S/C15H15F2N/c1-10-7-8-12(9-15(10)17)18-11(2)13-5-3-4-6-14(13)16/h3-9,11,18H,1-2H3
InChIKeyCYRBEJXXDBSKKC-UHFFFAOYSA-N
MW247.29 g/mol
LogP4.45
Rot. Bonds3

About 3-fluoro-N-[1-(2-fluorophenyl)ethyl]-4-methylaniline

3-fluoro-N-[1-(2-fluorophenyl)ethyl]-4-methylaniline (PubChem CID 43195584) has the molecular formula C15H15F2N and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-fluoro-N-[1-(2-fluorophenyl)ethyl]-4-methylaniline.

Molecular Properties

Compound Name3-fluoro-N-[1-(2-fluorophenyl)ethyl]-4-methylaniline
PubChem CID43195584
Molecular FormulaC15H15F2N
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name3-fluoro-N-[1-(2-fluorophenyl)ethyl]-4-methylaniline
SMILESCc1ccc(NC(C)c2ccccc2F)cc1F
InChIInChI=1S/C15H15F2N/c1-10-7-8-12(9-15(10)17)18-11(2)13-5-3-4-6-14(13)16/h3-9,11,18H,1-2H3
InChIKeyCYRBEJXXDBSKKC-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2-fluorophenyl)ethyl]-3,4-dimethylaniline
CID 43194139
3-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]aniline
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3,4-difluoro-N-[1-(2-methylphenyl)ethyl]aniline
CID 43193860
4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]aniline
CID 29291765
N-[1-(2-fluorophenyl)ethyl]-3-methyl-4-nitroaniline
CID 60970463
N-[1-(2-fluorophenyl)ethyl]quinoxalin-6-amine
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N-[(1R)-1-(2-fluorophenyl)ethyl]pyridin-4-amine
CID 94222755
N-[1-(2-fluorophenyl)ethyl]-2-methyl-3H-benzimidazol-5-amine
CID 43746480
4-N-[1-(2-fluorophenyl)ethyl]-2-methoxybenzene-1,4-diamine
CID 63676241
[3-[1-(2-fluorophenyl)ethylamino]phenyl]methanol
CID 43715146
3-chloro-N-[1-(2-fluorophenyl)ethyl]-4-propan-2-yloxyaniline
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N-(1,1-difluoropropan-2-yl)-3-fluoro-4-methylaniline
CID 102867861

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-(2-fluorophenyl)ethyl]-4-methylaniline?
The IUPAC name of 3-fluoro-N-[1-(2-fluorophenyl)ethyl]-4-methylaniline (CID 43195584) is 3-fluoro-N-[1-(2-fluorophenyl)ethyl]-4-methylaniline.
What is the SMILES notation for 3-fluoro-N-[1-(2-fluorophenyl)ethyl]-4-methylaniline?
The canonical SMILES for 3-fluoro-N-[1-(2-fluorophenyl)ethyl]-4-methylaniline is Cc1ccc(NC(C)c2ccccc2F)cc1F.
What is the InChIKey of 3-fluoro-N-[1-(2-fluorophenyl)ethyl]-4-methylaniline?
The InChIKey is CYRBEJXXDBSKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N/c1-10-7-8-12(9-15(10)17)18-11(2)13-5-3-4-6-14(13)16/h3-9,11,18H,1-2H3.
What are the key properties of 3-fluoro-N-[1-(2-fluorophenyl)ethyl]-4-methylaniline?
3-fluoro-N-[1-(2-fluorophenyl)ethyl]-4-methylaniline has a molecular weight of 247.29 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-(2-fluorophenyl)ethyl]-4-methylaniline is sourced from PubChem (CID 43195584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).