N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxyaniline

C16H18FNO — CID 115916812

IUPACN-[1-(4-fluorophenyl)propan-2-yl]-4-methoxyaniline
SMILESCOc1ccc(NC(C)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C16H18FNO/c1-12(11-13-3-5-14(17)6-4-13)18-15-7-9-16(19-2)10-8-15/h3-10,12,18H,11H2,1-2H3
InChIKeyCQNPFPSDEWMMSX-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.88
Rot. Bonds5

About N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxyaniline

N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxyaniline (PubChem CID 115916812) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxyaniline.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)propan-2-yl]-4-methoxyaniline
PubChem CID115916812
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC NameN-[1-(4-fluorophenyl)propan-2-yl]-4-methoxyaniline
SMILESCOc1ccc(NC(C)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C16H18FNO/c1-12(11-13-3-5-14(17)6-4-13)18-15-7-9-16(19-2)10-8-15/h3-10,12,18H,11H2,1-2H3
InChIKeyCQNPFPSDEWMMSX-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline
CID 43508755
3-bromo-N-[1-(4-fluorophenyl)propan-2-yl]-5-methoxyaniline
CID 114830578
3-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxyaniline
CID 115917453
5-N-[1-(4-methoxyphenyl)propan-2-yl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 43690659
N-[1-(4-fluorophenyl)propan-2-yl]-4,6-dimethoxypyrimidin-2-amine
CID 115355112
N-[1-(4-methoxyphenyl)propan-2-yl]pyridin-3-amine
CID 43508676
3-ethoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline
CID 60936370
2-bromo-6-chloro-4-fluoro-N-[1-(4-methoxyphenyl)propan-2-yl]aniline
CID 107610259
2-chloro-4-[1-(4-methoxyphenyl)propan-2-ylamino]benzonitrile
CID 43508838
3-N-[1-(4-fluorophenyl)propan-2-yl]-5-methylbenzene-1,3-diamine
CID 112647737
N-[1-(4-methoxyphenyl)propan-2-yl]-1-propan-2-ylpyrazol-4-amine
CID 62902829
1-(4-methoxyphenyl)propan-2-ylhydrazine;dihydrochloride
CID 70058414

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxyaniline?
The IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxyaniline (CID 115916812) is N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxyaniline.
What is the SMILES notation for N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxyaniline?
The canonical SMILES for N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxyaniline is COc1ccc(NC(C)Cc2ccc(F)cc2)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxyaniline?
The InChIKey is CQNPFPSDEWMMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-12(11-13-3-5-14(17)6-4-13)18-15-7-9-16(19-2)10-8-15/h3-10,12,18H,11H2,1-2H3.
What are the key properties of N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxyaniline?
N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxyaniline 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 N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxyaniline is sourced from PubChem (CID 115916812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).