2-fluoro-N-[1-(4-methoxyphenyl)propan-2-yl]aniline

C16H18FNO — CID 2846686

IUPAC2-fluoro-N-[1-(4-methoxyphenyl)propan-2-yl]aniline
SMILESCOc1ccc(CC(C)Nc2ccccc2F)cc1
InChIInChI=1S/C16H18FNO/c1-12(18-16-6-4-3-5-15(16)17)11-13-7-9-14(19-2)10-8-13/h3-10,12,18H,11H2,1-2H3
InChIKeyJTQMBXAASJHVCG-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.88
Rot. Bonds5

About 2-fluoro-N-[1-(4-methoxyphenyl)propan-2-yl]aniline

2-fluoro-N-[1-(4-methoxyphenyl)propan-2-yl]aniline (PubChem CID 2846686) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-fluoro-N-[1-(4-methoxyphenyl)propan-2-yl]aniline.

Molecular Properties

Compound Name2-fluoro-N-[1-(4-methoxyphenyl)propan-2-yl]aniline
PubChem CID2846686
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name2-fluoro-N-[1-(4-methoxyphenyl)propan-2-yl]aniline
SMILESCOc1ccc(CC(C)Nc2ccccc2F)cc1
InChIInChI=1S/C16H18FNO/c1-12(18-16-6-4-3-5-15(16)17)11-13-7-9-14(19-2)10-8-13/h3-10,12,18H,11H2,1-2H3
InChIKeyJTQMBXAASJHVCG-UHFFFAOYSA-N
XLogP3.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.88
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 2-fluoro-N-[1-(4-methoxyphenyl)propan-2-yl]aniline?
The IUPAC name of 2-fluoro-N-[1-(4-methoxyphenyl)propan-2-yl]aniline (CID 2846686) is 2-fluoro-N-[1-(4-methoxyphenyl)propan-2-yl]aniline.
What is the SMILES notation for 2-fluoro-N-[1-(4-methoxyphenyl)propan-2-yl]aniline?
The canonical SMILES for 2-fluoro-N-[1-(4-methoxyphenyl)propan-2-yl]aniline is COc1ccc(CC(C)Nc2ccccc2F)cc1.
What is the InChIKey of 2-fluoro-N-[1-(4-methoxyphenyl)propan-2-yl]aniline?
The InChIKey is JTQMBXAASJHVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-12(18-16-6-4-3-5-15(16)17)11-13-7-9-14(19-2)10-8-13/h3-10,12,18H,11H2,1-2H3.
What are the key properties of 2-fluoro-N-[1-(4-methoxyphenyl)propan-2-yl]aniline?
2-fluoro-N-[1-(4-methoxyphenyl)propan-2-yl]aniline has a molecular weight of 259.32 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-(4-methoxyphenyl)propan-2-yl]aniline is sourced from PubChem (CID 2846686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).