4-[1-(3-chloro-4-fluoroanilino)propyl]phenol

C15H15ClFNO — CID 43119212

IUPAC4-[1-(3-chloro-4-fluoroanilino)propyl]phenol
SMILESCCC(Nc1ccc(F)c(Cl)c1)c1ccc(O)cc1
InChIInChI=1S/C15H15ClFNO/c1-2-15(10-3-6-12(19)7-4-10)18-11-5-8-14(17)13(16)9-11/h3-9,15,18-19H,2H2,1H3
InChIKeyUAZZRVOEGQTPTD-UHFFFAOYSA-N
MW279.74 g/mol
LogP4.75
Rot. Bonds4

About 4-[1-(3-chloro-4-fluoroanilino)propyl]phenol

4-[1-(3-chloro-4-fluoroanilino)propyl]phenol (PubChem CID 43119212) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 4-[1-(3-chloro-4-fluoroanilino)propyl]phenol.

Molecular Properties

Compound Name4-[1-(3-chloro-4-fluoroanilino)propyl]phenol
PubChem CID43119212
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name4-[1-(3-chloro-4-fluoroanilino)propyl]phenol
SMILESCCC(Nc1ccc(F)c(Cl)c1)c1ccc(O)cc1
InChIInChI=1S/C15H15ClFNO/c1-2-15(10-3-6-12(19)7-4-10)18-11-5-8-14(17)13(16)9-11/h3-9,15,18-19H,2H2,1H3
InChIKeyUAZZRVOEGQTPTD-UHFFFAOYSA-N
XLogP4.75
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[1-(4-chlorophenyl)propyl]-4-fluoroaniline
CID 43119213
3-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline
CID 43104292
4-(1-phenylpropylamino)phenol
CID 43742837
5-[1-(3-chloro-4-fluoroanilino)ethyl]benzene-1,3-diol
CID 107705381
2-chloro-4-[1-(4-ethylphenyl)propylamino]phenol
CID 107678033
4-chloro-3-fluoro-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43721457
4-fluoro-3-methyl-N-(1-phenylpropyl)aniline
CID 62809853
N-(3-chloro-4-fluorophenyl)-1-phenylethane-1,2-diamine
CID 82133663
4-[1-(4-bromo-2,6-dichloroanilino)propyl]phenol
CID 43126610
N-[1-(4-bromophenyl)propyl]-3-chloro-4-methylaniline
CID 43111547
4-[1-(2,4-dichlorophenyl)propylamino]-2-fluorophenol
CID 64794999
4-[1-[1-(3,4-difluorophenyl)ethylamino]propyl]phenol
CID 43680964

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-chloro-4-fluoroanilino)propyl]phenol?
The IUPAC name of 4-[1-(3-chloro-4-fluoroanilino)propyl]phenol (CID 43119212) is 4-[1-(3-chloro-4-fluoroanilino)propyl]phenol.
What is the SMILES notation for 4-[1-(3-chloro-4-fluoroanilino)propyl]phenol?
The canonical SMILES for 4-[1-(3-chloro-4-fluoroanilino)propyl]phenol is CCC(Nc1ccc(F)c(Cl)c1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-(3-chloro-4-fluoroanilino)propyl]phenol?
The InChIKey is UAZZRVOEGQTPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-2-15(10-3-6-12(19)7-4-10)18-11-5-8-14(17)13(16)9-11/h3-9,15,18-19H,2H2,1H3.
What are the key properties of 4-[1-(3-chloro-4-fluoroanilino)propyl]phenol?
4-[1-(3-chloro-4-fluoroanilino)propyl]phenol has a molecular weight of 279.74 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-chloro-4-fluoroanilino)propyl]phenol is sourced from PubChem (CID 43119212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).