2-fluoro-4-methyl-N-(1-phenylpropyl)aniline

C16H18FN — CID 43114235

IUPAC2-fluoro-4-methyl-N-(1-phenylpropyl)aniline
SMILESCCC(Nc1ccc(C)cc1F)c1ccccc1
InChIInChI=1S/C16H18FN/c1-3-15(13-7-5-4-6-8-13)18-16-10-9-12(2)11-14(16)17/h4-11,15,18H,3H2,1-2H3
InChIKeyMGDJXNUEZRLKMD-UHFFFAOYSA-N
MW243.33 g/mol
LogP4.70
Rot. Bonds4

About 2-fluoro-4-methyl-N-(1-phenylpropyl)aniline

2-fluoro-4-methyl-N-(1-phenylpropyl)aniline (PubChem CID 43114235) has the molecular formula C16H18FN and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-fluoro-4-methyl-N-(1-phenylpropyl)aniline.

Molecular Properties

Compound Name2-fluoro-4-methyl-N-(1-phenylpropyl)aniline
PubChem CID43114235
Molecular FormulaC16H18FN
Molecular Weight243.33 g/mol
Exact Mass243.14
IUPAC Name2-fluoro-4-methyl-N-(1-phenylpropyl)aniline
SMILESCCC(Nc1ccc(C)cc1F)c1ccccc1
InChIInChI=1S/C16H18FN/c1-3-15(13-7-5-4-6-8-13)18-16-10-9-12(2)11-14(16)17/h4-11,15,18H,3H2,1-2H3
InChIKeyMGDJXNUEZRLKMD-UHFFFAOYSA-N
XLogP4.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-N-[1-(2-fluorophenyl)propyl]-4-methylaniline
CID 112676899
2-fluoro-4-methyl-N-[1-(3-nitrophenyl)propyl]aniline
CID 43133318
2-fluoro-4-methyl-N-(1-phenylethyl)aniline
CID 43088352
5-chloro-2-fluoro-N-(1-phenylpropyl)aniline
CID 43381923
2,4-difluoro-N-[1-(4-fluorophenyl)propyl]aniline
CID 43095155
4-methyl-2-(1-phenylpropylamino)benzonitrile
CID 62305230
N-(2,4-dimethylphenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine
CID 54805959
2-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline
CID 43122613
4-fluoro-3-methyl-N-(1-phenylpropyl)aniline
CID 62809853
2-fluoro-5-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline
CID 43772833
N-(3,3-dimethyl-1-phenylbutyl)-2-fluoro-5-methylaniline
CID 43772832
2-fluoro-N-[1-(2-fluorophenyl)propyl]-5-methylaniline
CID 112676903

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-N-(1-phenylpropyl)aniline?
The IUPAC name of 2-fluoro-4-methyl-N-(1-phenylpropyl)aniline (CID 43114235) is 2-fluoro-4-methyl-N-(1-phenylpropyl)aniline.
What is the SMILES notation for 2-fluoro-4-methyl-N-(1-phenylpropyl)aniline?
The canonical SMILES for 2-fluoro-4-methyl-N-(1-phenylpropyl)aniline is CCC(Nc1ccc(C)cc1F)c1ccccc1.
What is the InChIKey of 2-fluoro-4-methyl-N-(1-phenylpropyl)aniline?
The InChIKey is MGDJXNUEZRLKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-3-15(13-7-5-4-6-8-13)18-16-10-9-12(2)11-14(16)17/h4-11,15,18H,3H2,1-2H3.
What are the key properties of 2-fluoro-4-methyl-N-(1-phenylpropyl)aniline?
2-fluoro-4-methyl-N-(1-phenylpropyl)aniline has a molecular weight of 243.33 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-N-(1-phenylpropyl)aniline is sourced from PubChem (CID 43114235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).