4-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline

C17H20FNO — CID 2847571

IUPAC4-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline
SMILESCOc1ccc(CCC(C)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C17H20FNO/c1-13(19-16-9-7-15(18)8-10-16)3-4-14-5-11-17(20-2)12-6-14/h5-13,19H,3-4H2,1-2H3
InChIKeyUXIIBBMRNOAKGE-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.27
Rot. Bonds6

About 4-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline

4-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline (PubChem CID 2847571) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 4-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline
PubChem CID2847571
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name4-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline
SMILESCOc1ccc(CCC(C)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C17H20FNO/c1-13(19-16-9-7-15(18)8-10-16)3-4-14-5-11-17(20-2)12-6-14/h5-13,19H,3-4H2,1-2H3
InChIKeyUXIIBBMRNOAKGE-UHFFFAOYSA-N
XLogP4.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Florbetaben (18F)
CID 11501341
N-(4-methoxybenzyl)-N'-phenylthiourea
CID 773303
N-Benzyl-4-methoxyaniline
CID 519413
4-methoxy-N-(1-phenylethyl)aniline
CID 3849761
3-(4-Fluoroanilino)-1-(4-methoxyphenyl)-1-propanone
CID 930491
3,4-Dimethoxy-N-(4-methoxyphenyl)benzylamine
CID 784220
3-(4-Ethoxyanilino)-1-(4-fluorophenyl)-1-propanol
CID 3427706
N-(4-Methoxybenzyl)aniline
CID 408377
1-(2-((3-Fluorophenoxy)methyl)phenyl)piperazine
CID 45483467
(5-Dimethylamino-2-methoxy-benzyl)-((2S,3S)-2-phenyl-piperidin-3-yl)-amine
CID 22879211
N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine
CID 44334052
4-bromo-N-(4-methoxybenzyl)aniline
CID 775227

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline?
The IUPAC name of 4-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline (CID 2847571) is 4-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline.
What is the SMILES notation for 4-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline?
The canonical SMILES for 4-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline is COc1ccc(CCC(C)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 4-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline?
The InChIKey is UXIIBBMRNOAKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-13(19-16-9-7-15(18)8-10-16)3-4-14-5-11-17(20-2)12-6-14/h5-13,19H,3-4H2,1-2H3.
What are the key properties of 4-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline?
4-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline has a molecular weight of 273.35 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline is sourced from PubChem (CID 2847571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).