2-[1-(2-fluorophenyl)propyl]-4-methylaniline

C16H18FN — CID 142273313

IUPAC2-[1-(2-fluorophenyl)propyl]-4-methylaniline
SMILESCCC(c1cc(C)ccc1N)c1ccccc1F
InChIInChI=1S/C16H18FN/c1-3-12(13-6-4-5-7-15(13)17)14-10-11(2)8-9-16(14)18/h4-10,12H,3,18H2,1-2H3
InChIKeyYUNBCROJHQFZJZ-UHFFFAOYSA-N
MW243.33 g/mol
LogP4.26
Rot. Bonds3

About 2-[1-(2-fluorophenyl)propyl]-4-methylaniline

2-[1-(2-fluorophenyl)propyl]-4-methylaniline (PubChem CID 142273313) has the molecular formula C16H18FN and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)propyl]-4-methylaniline.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)propyl]-4-methylaniline
PubChem CID142273313
Molecular FormulaC16H18FN
Molecular Weight243.33 g/mol
Exact Mass243.14
IUPAC Name2-[1-(2-fluorophenyl)propyl]-4-methylaniline
SMILESCCC(c1cc(C)ccc1N)c1ccccc1F
InChIInChI=1S/C16H18FN/c1-3-12(13-6-4-5-7-15(13)17)14-10-11(2)8-9-16(14)18/h4-10,12H,3,18H2,1-2H3
InChIKeyYUNBCROJHQFZJZ-UHFFFAOYSA-N
XLogP4.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4,4-Diaminodiphenylmethane
CID 7577
o-Tolidine
CID 8413
Benzidine
CID 7111
2,4-Dimethylaniline
CID 7250
4-Aminobiphenyl
CID 7102
2-Aminobiphenyl
CID 7015
4-Isopropylaniline
CID 7464
Diisopropylaniline
CID 32484
4,4'-Diamino-3,3'-dimethyldiphenylmethane
CID 13283
3,3',5,5'-Tetramethylbenzidine
CID 41206
4,4'-Methylenedianiline dihydrochloride
CID 26108
3,3'-Dimethylbenzidine dihydrochloride
CID 108938

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)propyl]-4-methylaniline?
The IUPAC name of 2-[1-(2-fluorophenyl)propyl]-4-methylaniline (CID 142273313) is 2-[1-(2-fluorophenyl)propyl]-4-methylaniline.
What is the SMILES notation for 2-[1-(2-fluorophenyl)propyl]-4-methylaniline?
The canonical SMILES for 2-[1-(2-fluorophenyl)propyl]-4-methylaniline is CCC(c1cc(C)ccc1N)c1ccccc1F.
What is the InChIKey of 2-[1-(2-fluorophenyl)propyl]-4-methylaniline?
The InChIKey is YUNBCROJHQFZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-3-12(13-6-4-5-7-15(13)17)14-10-11(2)8-9-16(14)18/h4-10,12H,3,18H2,1-2H3.
What are the key properties of 2-[1-(2-fluorophenyl)propyl]-4-methylaniline?
2-[1-(2-fluorophenyl)propyl]-4-methylaniline has a molecular weight of 243.33 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)propyl]-4-methylaniline is sourced from PubChem (CID 142273313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).