3-(2-aminopropyl)-4-chloro-5-fluoro-2-methoxyphenol

C10H13ClFNO2 — CID 117339610

IUPAC3-(2-aminopropyl)-4-chloro-5-fluoro-2-methoxyphenol
SMILESCOc1c(O)cc(F)c(Cl)c1CC(C)N
InChIInChI=1S/C10H13ClFNO2/c1-5(13)3-6-9(11)7(12)4-8(14)10(6)15-2/h4-5,14H,3,13H2,1-2H3
InChIKeyWOJOVYJWBHXTOI-UHFFFAOYSA-N
MW233.67 g/mol
LogP2.08
Rot. Bonds3

About 3-(2-aminopropyl)-4-chloro-5-fluoro-2-methoxyphenol

3-(2-aminopropyl)-4-chloro-5-fluoro-2-methoxyphenol (PubChem CID 117339610) has the molecular formula C10H13ClFNO2 and a molecular weight of 233.67 g/mol. Its IUPAC name is 3-(2-aminopropyl)-4-chloro-5-fluoro-2-methoxyphenol.

Molecular Properties

Compound Name3-(2-aminopropyl)-4-chloro-5-fluoro-2-methoxyphenol
PubChem CID117339610
Molecular FormulaC10H13ClFNO2
Molecular Weight233.67 g/mol
Exact Mass233.06
IUPAC Name3-(2-aminopropyl)-4-chloro-5-fluoro-2-methoxyphenol
SMILESCOc1c(O)cc(F)c(Cl)c1CC(C)N
InChIInChI=1S/C10H13ClFNO2/c1-5(13)3-6-9(11)7(12)4-8(14)10(6)15-2/h4-5,14H,3,13H2,1-2H3
InChIKeyWOJOVYJWBHXTOI-UHFFFAOYSA-N
XLogP2.08
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.67
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminopropyl)-3-bromo-5-fluoro-2-methoxyphenol
CID 117445537
1-(5-chloro-2,3-difluoro-6-methoxyphenyl)propan-2-amine
CID 83896789
3-(2-amino-1-hydroxyethyl)-4-chloro-5-fluoro-2-methoxyphenol
CID 117343843
3-(2-chloro-3-fluoro-5-hydroxy-6-methoxyphenyl)-2,2-dimethylpropanoic acid
CID 117443307
3-[1-(1-aminoethyl)cyclopropyl]-4-chloro-5-fluoro-2-methoxyphenol
CID 117403514
1-(3-chloro-2,4,6-trifluorophenyl)propan-2-amine
CID 117320924
1-(3-chloro-2-fluoro-5,6-dimethoxyphenyl)propan-2-amine
CID 117372461
2-(2-aminopropyl)-4-chloro-5-fluorophenol
CID 117292217
1-(3-chloro-5-fluoro-4-methoxyphenyl)propan-2-amine
CID 117310361
4-(2-aminopropyl)-3-chloro-5-methylbenzene-1,2-diol
CID 117307437
1-[4-(2-aminopropyl)-2,3,5,6-tetrachlorophenyl]propan-2-amine
CID 170864520
1-(3-chloro-2,5,6-trimethoxyphenyl)propan-2-amine
CID 117403670

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropyl)-4-chloro-5-fluoro-2-methoxyphenol?
The IUPAC name of 3-(2-aminopropyl)-4-chloro-5-fluoro-2-methoxyphenol (CID 117339610) is 3-(2-aminopropyl)-4-chloro-5-fluoro-2-methoxyphenol.
What is the SMILES notation for 3-(2-aminopropyl)-4-chloro-5-fluoro-2-methoxyphenol?
The canonical SMILES for 3-(2-aminopropyl)-4-chloro-5-fluoro-2-methoxyphenol is COc1c(O)cc(F)c(Cl)c1CC(C)N.
What is the InChIKey of 3-(2-aminopropyl)-4-chloro-5-fluoro-2-methoxyphenol?
The InChIKey is WOJOVYJWBHXTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO2/c1-5(13)3-6-9(11)7(12)4-8(14)10(6)15-2/h4-5,14H,3,13H2,1-2H3.
What are the key properties of 3-(2-aminopropyl)-4-chloro-5-fluoro-2-methoxyphenol?
3-(2-aminopropyl)-4-chloro-5-fluoro-2-methoxyphenol has a molecular weight of 233.67 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropyl)-4-chloro-5-fluoro-2-methoxyphenol is sourced from PubChem (CID 117339610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).