2-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-6-methylaniline

C16H17F2N — CID 114830872

IUPAC2-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-6-methylaniline
SMILESCc1cccc(F)c1NC(C)Cc1ccccc1F
InChIInChI=1S/C16H17F2N/c1-11-6-5-9-15(18)16(11)19-12(2)10-13-7-3-4-8-14(13)17/h3-9,12,19H,10H2,1-2H3
InChIKeyXBDFOGUERUDDFN-UHFFFAOYSA-N
MW261.31 g/mol
LogP4.32
Rot. Bonds4

About 2-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-6-methylaniline

2-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-6-methylaniline (PubChem CID 114830872) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is 2-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-6-methylaniline.

Molecular Properties

Compound Name2-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-6-methylaniline
PubChem CID114830872
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC Name2-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-6-methylaniline
SMILESCc1cccc(F)c1NC(C)Cc1ccccc1F
InChIInChI=1S/C16H17F2N/c1-11-6-5-9-15(18)16(11)19-12(2)10-13-7-3-4-8-14(13)17/h3-9,12,19H,10H2,1-2H3
InChIKeyXBDFOGUERUDDFN-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-dichloro-4-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114830625
2,4,6-trichloro-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828437
2,4,6-tribromo-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828434
3-chloro-N-[1-(2-fluorophenyl)propan-2-yl]-4-methylaniline
CID 114827877
N-[1-(2-fluorophenyl)propan-2-yl]-3-iodoaniline
CID 114828426
2-fluoro-6-methyl-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116535087
2-tert-butyl-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828604
2,5-difluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828016
[4-[1-(2-fluorophenyl)propan-2-ylamino]phenyl]methanol
CID 114830703
N-[1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline
CID 114828563
N-[1-(2-fluorophenyl)propan-2-yl]-3,6-dimethylpyrazin-2-amine
CID 133468439
2-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-6-methylaniline
CID 66251267

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-6-methylaniline?
The IUPAC name of 2-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-6-methylaniline (CID 114830872) is 2-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-6-methylaniline.
What is the SMILES notation for 2-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-6-methylaniline?
The canonical SMILES for 2-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-6-methylaniline is Cc1cccc(F)c1NC(C)Cc1ccccc1F.
What is the InChIKey of 2-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-6-methylaniline?
The InChIKey is XBDFOGUERUDDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-11-6-5-9-15(18)16(11)19-12(2)10-13-7-3-4-8-14(13)17/h3-9,12,19H,10H2,1-2H3.
What are the key properties of 2-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-6-methylaniline?
2-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-6-methylaniline has a molecular weight of 261.31 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-6-methylaniline is sourced from PubChem (CID 114830872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).