4-[3-(3,5-difluoroanilino)butyl]phenol

C16H17F2NO — CID 43196014

IUPAC4-[3-(3,5-difluoroanilino)butyl]phenol
SMILESCC(CCc1ccc(O)cc1)Nc1cc(F)cc(F)c1
InChIInChI=1S/C16H17F2NO/c1-11(2-3-12-4-6-16(20)7-5-12)19-15-9-13(17)8-14(18)10-15/h4-11,19-20H,2-3H2,1H3
InChIKeyARSIGKCWVPDKLN-UHFFFAOYSA-N
MW277.31 g/mol
LogP4.10
Rot. Bonds5

About 4-[3-(3,5-difluoroanilino)butyl]phenol

4-[3-(3,5-difluoroanilino)butyl]phenol (PubChem CID 43196014) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 4-[3-(3,5-difluoroanilino)butyl]phenol.

Molecular Properties

Compound Name4-[3-(3,5-difluoroanilino)butyl]phenol
PubChem CID43196014
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name4-[3-(3,5-difluoroanilino)butyl]phenol
SMILESCC(CCc1ccc(O)cc1)Nc1cc(F)cc(F)c1
InChIInChI=1S/C16H17F2NO/c1-11(2-3-12-4-6-16(20)7-5-12)19-15-9-13(17)8-14(18)10-15/h4-11,19-20H,2-3H2,1H3
InChIKeyARSIGKCWVPDKLN-UHFFFAOYSA-N
XLogP4.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-[(6-fluoro-3-pyridinyl)amino]butyl]phenol
CID 104862516
4-[3-(3-methylbutylamino)butyl]phenol
CID 43193057
3-chloro-5-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline
CID 107364132
4-[3-(4-bromo-3-chloroanilino)butyl]phenol
CID 107618811
3-fluoro-N-(4-phenylbutan-2-yl)aniline
CID 43095548
4-[3-[(6-bromo-3-pyridinyl)amino]butyl]phenol
CID 104862530
3-[4-(4-hydroxyphenyl)butan-2-ylamino]benzamide
CID 43202886
4-[3-[(1-methylpyrazol-4-yl)amino]butyl]phenol
CID 43534909
4-[3-(2-hydroxybutylamino)butyl]phenol
CID 113492026
N-[5-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylphenyl]methanesulfonamide
CID 75509356
4-[3-(2,5-dibromoanilino)butyl]phenol
CID 43736822
N-butan-2-yl-3,5-difluoroaniline
CID 43196032

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,5-difluoroanilino)butyl]phenol?
The IUPAC name of 4-[3-(3,5-difluoroanilino)butyl]phenol (CID 43196014) is 4-[3-(3,5-difluoroanilino)butyl]phenol.
What is the SMILES notation for 4-[3-(3,5-difluoroanilino)butyl]phenol?
The canonical SMILES for 4-[3-(3,5-difluoroanilino)butyl]phenol is CC(CCc1ccc(O)cc1)Nc1cc(F)cc(F)c1.
What is the InChIKey of 4-[3-(3,5-difluoroanilino)butyl]phenol?
The InChIKey is ARSIGKCWVPDKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-11(2-3-12-4-6-16(20)7-5-12)19-15-9-13(17)8-14(18)10-15/h4-11,19-20H,2-3H2,1H3.
What are the key properties of 4-[3-(3,5-difluoroanilino)butyl]phenol?
4-[3-(3,5-difluoroanilino)butyl]phenol has a molecular weight of 277.31 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,5-difluoroanilino)butyl]phenol is sourced from PubChem (CID 43196014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).