4-[2-(4-fluoro-3-methylanilino)propyl]phenol

C16H18FNO — CID 115494328

IUPAC4-[2-(4-fluoro-3-methylanilino)propyl]phenol
SMILESCc1cc(NC(C)Cc2ccc(O)cc2)ccc1F
InChIInChI=1S/C16H18FNO/c1-11-9-14(5-8-16(11)17)18-12(2)10-13-3-6-15(19)7-4-13/h3-9,12,18-19H,10H2,1-2H3
InChIKeyHYXGACVAWBDSGK-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.88
Rot. Bonds4

About 4-[2-(4-fluoro-3-methylanilino)propyl]phenol

4-[2-(4-fluoro-3-methylanilino)propyl]phenol (PubChem CID 115494328) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 4-[2-(4-fluoro-3-methylanilino)propyl]phenol.

Molecular Properties

Compound Name4-[2-(4-fluoro-3-methylanilino)propyl]phenol
PubChem CID115494328
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name4-[2-(4-fluoro-3-methylanilino)propyl]phenol
SMILESCc1cc(NC(C)Cc2ccc(O)cc2)ccc1F
InChIInChI=1S/C16H18FNO/c1-11-9-14(5-8-16(11)17)18-12(2)10-13-3-6-15(19)7-4-13/h3-9,12,18-19H,10H2,1-2H3
InChIKeyHYXGACVAWBDSGK-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

2-fluoro-5-[1-(4-hydroxyphenyl)propan-2-ylamino]benzoic acid
CID 115494141
4-[2-(4-hydroxyanilino)propyl]phenol
CID 113322859
2-N-(4-fluoro-3-methylphenyl)propane-1,2-diamine
CID 82503971
4-fluoro-3-methyl-N-(5-methylhexan-2-yl)aniline
CID 63478411
4-[2-(5-fluoro-2-methylanilino)propyl]phenol
CID 115493921
4-[1-(4-hydroxyphenyl)propan-2-ylamino]benzene-1,2-dicarbonitrile
CID 107788231
4-[2-[4-(2-hydroxyethyl)anilino]propyl]phenol
CID 115494265
4-[2-(3-propan-2-ylanilino)propyl]phenol
CID 115493965
2-[1-(4-fluoro-3-methylanilino)ethyl]benzene-1,4-diol
CID 62810903
N-(1-cyclopropylpropan-2-yl)-4-fluoro-3-methylaniline
CID 115922487
2-chloro-4-[1-(4-hydroxyphenyl)propan-2-ylamino]benzonitrile
CID 115494021
2-(4-fluoro-3-methylanilino)-3-methylbutan-1-ol
CID 115137256

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluoro-3-methylanilino)propyl]phenol?
The IUPAC name of 4-[2-(4-fluoro-3-methylanilino)propyl]phenol (CID 115494328) is 4-[2-(4-fluoro-3-methylanilino)propyl]phenol.
What is the SMILES notation for 4-[2-(4-fluoro-3-methylanilino)propyl]phenol?
The canonical SMILES for 4-[2-(4-fluoro-3-methylanilino)propyl]phenol is Cc1cc(NC(C)Cc2ccc(O)cc2)ccc1F.
What is the InChIKey of 4-[2-(4-fluoro-3-methylanilino)propyl]phenol?
The InChIKey is HYXGACVAWBDSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-11-9-14(5-8-16(11)17)18-12(2)10-13-3-6-15(19)7-4-13/h3-9,12,18-19H,10H2,1-2H3.
What are the key properties of 4-[2-(4-fluoro-3-methylanilino)propyl]phenol?
4-[2-(4-fluoro-3-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-(4-fluoro-3-methylanilino)propyl]phenol is sourced from PubChem (CID 115494328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).