2-(2-aminopropyl)-4-chloro-5-fluorophenol

C9H11ClFNO — CID 117292217

IUPAC2-(2-aminopropyl)-4-chloro-5-fluorophenol
SMILESCC(N)Cc1cc(Cl)c(F)cc1O
InChIInChI=1S/C9H11ClFNO/c1-5(12)2-6-3-7(10)8(11)4-9(6)13/h3-5,13H,2,12H2,1H3
InChIKeyJCOOTLIXIUJLJY-UHFFFAOYSA-N
MW203.64 g/mol
LogP2.07
Rot. Bonds2

About 2-(2-aminopropyl)-4-chloro-5-fluorophenol

2-(2-aminopropyl)-4-chloro-5-fluorophenol (PubChem CID 117292217) has the molecular formula C9H11ClFNO and a molecular weight of 203.64 g/mol. Its IUPAC name is 2-(2-aminopropyl)-4-chloro-5-fluorophenol.

Molecular Properties

Compound Name2-(2-aminopropyl)-4-chloro-5-fluorophenol
PubChem CID117292217
Molecular FormulaC9H11ClFNO
Molecular Weight203.64 g/mol
Exact Mass203.05
IUPAC Name2-(2-aminopropyl)-4-chloro-5-fluorophenol
SMILESCC(N)Cc1cc(Cl)c(F)cc1O
InChIInChI=1S/C9H11ClFNO/c1-5(12)2-6-3-7(10)8(11)4-9(6)13/h3-5,13H,2,12H2,1H3
InChIKeyJCOOTLIXIUJLJY-UHFFFAOYSA-N
XLogP2.07
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.64
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2,4-difluorophenyl)propan-2-amine
CID 117294361
4-chloro-5-fluoro-2-(2-hydroxypropyl)phenol
CID 117293006
4-(2-aminopropyl)-6-chloro-2,3-difluorophenol
CID 117317248
2-(2-aminopropyl)-5-chlorophenol
CID 83697150
4-(2-aminopropyl)-5-fluoro-2-methylphenol
CID 117279524
1-(5-chloro-2-fluoro-4-methylphenyl)propan-2-amine
CID 117290515
1-(2,4,5-trichlorophenyl)propan-2-amine;hydrochloride
CID 3041172
2-(2-aminopropyl)-5-fluorophenol
CID 83695312
2-(1-aminopropan-2-yl)-4-chloro-5-fluorophenol
CID 84777609
1-(5-chloro-2-fluoro-4-methoxyphenyl)propan-2-amine;hydrochloride
CID 170894016
1-(2-chloro-4-fluorophenyl)propan-2-amine
CID 62600100
1-(3-chloro-4-fluorophenyl)propan-2-amine
CID 55254568

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-4-chloro-5-fluorophenol?
The IUPAC name of 2-(2-aminopropyl)-4-chloro-5-fluorophenol (CID 117292217) is 2-(2-aminopropyl)-4-chloro-5-fluorophenol.
What is the SMILES notation for 2-(2-aminopropyl)-4-chloro-5-fluorophenol?
The canonical SMILES for 2-(2-aminopropyl)-4-chloro-5-fluorophenol is CC(N)Cc1cc(Cl)c(F)cc1O.
What is the InChIKey of 2-(2-aminopropyl)-4-chloro-5-fluorophenol?
The InChIKey is JCOOTLIXIUJLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO/c1-5(12)2-6-3-7(10)8(11)4-9(6)13/h3-5,13H,2,12H2,1H3.
What are the key properties of 2-(2-aminopropyl)-4-chloro-5-fluorophenol?
2-(2-aminopropyl)-4-chloro-5-fluorophenol has a molecular weight of 203.64 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-4-chloro-5-fluorophenol is sourced from PubChem (CID 117292217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).