4-[2-(5-fluoro-2-methylanilino)propyl]phenol

C16H18FNO — CID 115493921

IUPAC4-[2-(5-fluoro-2-methylanilino)propyl]phenol
SMILESCc1ccc(F)cc1NC(C)Cc1ccc(O)cc1
InChIInChI=1S/C16H18FNO/c1-11-3-6-14(17)10-16(11)18-12(2)9-13-4-7-15(19)8-5-13/h3-8,10,12,18-19H,9H2,1-2H3
InChIKeyLRUIGZPGBGKCCD-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.88
Rot. Bonds4

About 4-[2-(5-fluoro-2-methylanilino)propyl]phenol

4-[2-(5-fluoro-2-methylanilino)propyl]phenol (PubChem CID 115493921) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 4-[2-(5-fluoro-2-methylanilino)propyl]phenol.

Molecular Properties

Compound Name4-[2-(5-fluoro-2-methylanilino)propyl]phenol
PubChem CID115493921
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name4-[2-(5-fluoro-2-methylanilino)propyl]phenol
SMILESCc1ccc(F)cc1NC(C)Cc1ccc(O)cc1
InChIInChI=1S/C16H18FNO/c1-11-3-6-14(17)10-16(11)18-12(2)9-13-4-7-15(19)8-5-13/h3-8,10,12,18-19H,9H2,1-2H3
InChIKeyLRUIGZPGBGKCCD-UHFFFAOYSA-N
XLogP3.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-[1-(4-fluorophenyl)propan-2-yl]-4-methylbenzene-1,3-diamine
CID 55140908
4-[2-(4-fluoro-2-methoxyanilino)propyl]phenol
CID 115494278
4-[2-(4-fluoro-2-nitroanilino)propyl]phenol
CID 115494070
4-[2-(4-fluoro-3-methylanilino)propyl]phenol
CID 115494328
5-fluoro-N-[(2R)-1-methoxypropan-2-yl]-2-methylaniline
CID 94473006
4-[2-(3-methoxy-2,4-dimethylanilino)propyl]phenol
CID 115494162
5-fluoro-N-[1-(furan-2-yl)propan-2-yl]-2-methylaniline
CID 63099917
3-(5-fluoro-2-methylanilino)butanenitrile
CID 60912790
5-[1-(5-fluoro-2-methylanilino)ethyl]benzene-1,3-diol
CID 107705061
4-[2-(4-hydroxyanilino)propyl]phenol
CID 113322859
3-[1-(4-hydroxyphenyl)propan-2-ylamino]-4-methylcyclobut-3-ene-1,2-dione
CID 143748239
[(2S)-1-(4-hydroxyphenyl)propan-2-yl]carbamic acid
CID 124508416

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-fluoro-2-methylanilino)propyl]phenol?
The IUPAC name of 4-[2-(5-fluoro-2-methylanilino)propyl]phenol (CID 115493921) is 4-[2-(5-fluoro-2-methylanilino)propyl]phenol.
What is the SMILES notation for 4-[2-(5-fluoro-2-methylanilino)propyl]phenol?
The canonical SMILES for 4-[2-(5-fluoro-2-methylanilino)propyl]phenol is Cc1ccc(F)cc1NC(C)Cc1ccc(O)cc1.
What is the InChIKey of 4-[2-(5-fluoro-2-methylanilino)propyl]phenol?
The InChIKey is LRUIGZPGBGKCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-11-3-6-14(17)10-16(11)18-12(2)9-13-4-7-15(19)8-5-13/h3-8,10,12,18-19H,9H2,1-2H3.
What are the key properties of 4-[2-(5-fluoro-2-methylanilino)propyl]phenol?
4-[2-(5-fluoro-2-methylanilino)propyl]phenol has a molecular weight of 259.32 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-fluoro-2-methylanilino)propyl]phenol is sourced from PubChem (CID 115493921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).