2-[1-(2-fluoro-5-methylanilino)propyl]phenol

C16H18FNO — CID 43122748

IUPAC2-[1-(2-fluoro-5-methylanilino)propyl]phenol
SMILESCCC(Nc1cc(C)ccc1F)c1ccccc1O
InChIInChI=1S/C16H18FNO/c1-3-14(12-6-4-5-7-16(12)19)18-15-10-11(2)8-9-13(15)17/h4-10,14,18-19H,3H2,1-2H3
InChIKeyBVYRIUDIMXAKDG-UHFFFAOYSA-N
MW259.32 g/mol
LogP4.40
Rot. Bonds4

About 2-[1-(2-fluoro-5-methylanilino)propyl]phenol

2-[1-(2-fluoro-5-methylanilino)propyl]phenol (PubChem CID 43122748) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-[1-(2-fluoro-5-methylanilino)propyl]phenol.

Molecular Properties

Compound Name2-[1-(2-fluoro-5-methylanilino)propyl]phenol
PubChem CID43122748
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name2-[1-(2-fluoro-5-methylanilino)propyl]phenol
SMILESCCC(Nc1cc(C)ccc1F)c1ccccc1O
InChIInChI=1S/C16H18FNO/c1-3-14(12-6-4-5-7-16(12)19)18-15-10-11(2)8-9-13(15)17/h4-10,14,18-19H,3H2,1-2H3
InChIKeyBVYRIUDIMXAKDG-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-[1-(2-fluorophenyl)propyl]-5-methylaniline
CID 112676903
4-bromo-2-[1-(2-fluoro-5-methylanilino)propyl]phenol
CID 43122763
N-[1-(2-fluorophenyl)propyl]-2,5-dimethylaniline
CID 112676883
2-fluoro-N-[1-(2-fluorophenyl)propyl]-4-methylaniline
CID 112676899
2-[1-(4-bromo-2-fluoroanilino)propyl]phenol
CID 43192631
4-bromo-2-[1-(5-bromo-2-fluoroanilino)propyl]phenol
CID 43555358
2-fluoro-4-[1-(2-hydroxyphenyl)propylamino]phenol
CID 64793529
2-[1-(2-chloro-4-fluoroanilino)propyl]phenol
CID 43150463
4-[1-(2-fluorophenyl)propylamino]-2,5-dimethylphenol
CID 106953694
2-fluoro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676866
2-[1-(2-ethoxy-4-fluoroanilino)propyl]phenol
CID 43730084
2-[1-(methylamino)propyl]phenol
CID 12862798

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluoro-5-methylanilino)propyl]phenol?
The IUPAC name of 2-[1-(2-fluoro-5-methylanilino)propyl]phenol (CID 43122748) is 2-[1-(2-fluoro-5-methylanilino)propyl]phenol.
What is the SMILES notation for 2-[1-(2-fluoro-5-methylanilino)propyl]phenol?
The canonical SMILES for 2-[1-(2-fluoro-5-methylanilino)propyl]phenol is CCC(Nc1cc(C)ccc1F)c1ccccc1O.
What is the InChIKey of 2-[1-(2-fluoro-5-methylanilino)propyl]phenol?
The InChIKey is BVYRIUDIMXAKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-3-14(12-6-4-5-7-16(12)19)18-15-10-11(2)8-9-13(15)17/h4-10,14,18-19H,3H2,1-2H3.
What are the key properties of 2-[1-(2-fluoro-5-methylanilino)propyl]phenol?
2-[1-(2-fluoro-5-methylanilino)propyl]phenol has a molecular weight of 259.32 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluoro-5-methylanilino)propyl]phenol is sourced from PubChem (CID 43122748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).