2-[1-(2-chloro-4-fluoroanilino)propyl]phenol

C15H15ClFNO — CID 43150463

IUPAC2-[1-(2-chloro-4-fluoroanilino)propyl]phenol
SMILESCCC(Nc1ccc(F)cc1Cl)c1ccccc1O
InChIInChI=1S/C15H15ClFNO/c1-2-13(11-5-3-4-6-15(11)19)18-14-8-7-10(17)9-12(14)16/h3-9,13,18-19H,2H2,1H3
InChIKeyMIKHBZVABUEAIU-UHFFFAOYSA-N
MW279.74 g/mol
LogP4.75
Rot. Bonds4

About 2-[1-(2-chloro-4-fluoroanilino)propyl]phenol

2-[1-(2-chloro-4-fluoroanilino)propyl]phenol (PubChem CID 43150463) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 2-[1-(2-chloro-4-fluoroanilino)propyl]phenol.

Molecular Properties

Compound Name2-[1-(2-chloro-4-fluoroanilino)propyl]phenol
PubChem CID43150463
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name2-[1-(2-chloro-4-fluoroanilino)propyl]phenol
SMILESCCC(Nc1ccc(F)cc1Cl)c1ccccc1O
InChIInChI=1S/C15H15ClFNO/c1-2-13(11-5-3-4-6-15(11)19)18-14-8-7-10(17)9-12(14)16/h3-9,13,18-19H,2H2,1H3
InChIKeyMIKHBZVABUEAIU-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

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-fluoro-N-[1-(2-methoxyphenyl)propyl]aniline
CID 43773957
2-[1-(2-ethoxy-4-fluoroanilino)propyl]phenol
CID 43730084
2,4-dichloro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676843
2-[1-(4-bromo-2-fluoroanilino)propyl]phenol
CID 43192631
2-[1-(3-chloro-5-fluoroanilino)propyl]phenol
CID 104925443
2-[1-(3-chloro-2-methylanilino)propyl]phenol
CID 43101368
2-[1-(2-fluoro-5-methylanilino)propyl]phenol
CID 43122748
2-[1-(4-bromo-2,3-dichloroanilino)propyl]phenol
CID 107788052
N-[1-(4-bromophenyl)propyl]-2-chloro-4-fluoroaniline
CID 43150469
2-[1-(3,4-dichloroanilino)propyl]phenol
CID 43105604
2-bromo-4-fluoro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676901
4-fluoro-N-[1-(2-fluorophenyl)propyl]-2-iodoaniline
CID 112677053

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chloro-4-fluoroanilino)propyl]phenol?
The IUPAC name of 2-[1-(2-chloro-4-fluoroanilino)propyl]phenol (CID 43150463) is 2-[1-(2-chloro-4-fluoroanilino)propyl]phenol.
What is the SMILES notation for 2-[1-(2-chloro-4-fluoroanilino)propyl]phenol?
The canonical SMILES for 2-[1-(2-chloro-4-fluoroanilino)propyl]phenol is CCC(Nc1ccc(F)cc1Cl)c1ccccc1O.
What is the InChIKey of 2-[1-(2-chloro-4-fluoroanilino)propyl]phenol?
The InChIKey is MIKHBZVABUEAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-2-13(11-5-3-4-6-15(11)19)18-14-8-7-10(17)9-12(14)16/h3-9,13,18-19H,2H2,1H3.
What are the key properties of 2-[1-(2-chloro-4-fluoroanilino)propyl]phenol?
2-[1-(2-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 2-[1-(2-chloro-4-fluoroanilino)propyl]phenol is sourced from PubChem (CID 43150463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).