5-fluoro-N,2-dimethylaniline;toluene

C15H18FN — CID 143638589

IUPAC5-fluoro-N,2-dimethylaniline;toluene
SMILESCNc1cc(F)ccc1C.Cc1ccccc1
InChIInChI=1S/C8H10FN.C7H8/c1-6-3-4-7(9)5-8(6)10-2;1-7-5-3-2-4-6-7/h3-5,10H,1-2H3;2-6H,1H3
InChIKeyNMYUNDGKVJFNCC-UHFFFAOYSA-N
MW231.31 g/mol
LogP4.17
Rot. Bonds1

About 5-fluoro-N,2-dimethylaniline;toluene

5-fluoro-N,2-dimethylaniline;toluene (PubChem CID 143638589) has the molecular formula C15H18FN and a molecular weight of 231.31 g/mol. Its IUPAC name is 5-fluoro-N,2-dimethylaniline;toluene.

Molecular Properties

Compound Name5-fluoro-N,2-dimethylaniline;toluene
PubChem CID143638589
Molecular FormulaC15H18FN
Molecular Weight231.31 g/mol
Exact Mass231.14
IUPAC Name5-fluoro-N,2-dimethylaniline;toluene
SMILESCNc1cc(F)ccc1C.Cc1ccccc1
InChIInChI=1S/C8H10FN.C7H8/c1-6-3-4-7(9)5-8(6)10-2;1-7-5-3-2-4-6-7/h3-5,10H,1-2H3;2-6H,1H3
InChIKeyNMYUNDGKVJFNCC-UHFFFAOYSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-(5-fluoro-2-methylphenyl)-3-methylbenzamide
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N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-inden-2-amine
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5-fluoro-2-methyl-N-[(4-phenylthiophen-2-yl)methyl]aniline
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1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;toluene
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N,2-dimethylaniline
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5-fluoro-2-methyl-N-(3-methyl-2-phenylbutyl)aniline
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N-(5-fluoro-2-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103304023
4-N-(5-fluoro-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
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1-(5-fluoro-2-methylphenyl)-3-(2-fluorophenyl)thiourea
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N-[4-fluoro-2-(methylamino)phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,2-dimethylaniline;toluene?
The IUPAC name of 5-fluoro-N,2-dimethylaniline;toluene (CID 143638589) is 5-fluoro-N,2-dimethylaniline;toluene.
What is the SMILES notation for 5-fluoro-N,2-dimethylaniline;toluene?
The canonical SMILES for 5-fluoro-N,2-dimethylaniline;toluene is CNc1cc(F)ccc1C.Cc1ccccc1.
What is the InChIKey of 5-fluoro-N,2-dimethylaniline;toluene?
The InChIKey is NMYUNDGKVJFNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN.C7H8/c1-6-3-4-7(9)5-8(6)10-2;1-7-5-3-2-4-6-7/h3-5,10H,1-2H3;2-6H,1H3.
What are the key properties of 5-fluoro-N,2-dimethylaniline;toluene?
5-fluoro-N,2-dimethylaniline;toluene has a molecular weight of 231.31 g/mol, XLogP of 4.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,2-dimethylaniline;toluene is sourced from PubChem (CID 143638589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).