1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine

C11H15ClFNO2 — CID 117372462

IUPAC1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine
SMILESCOc1c(CC(C)N)cc(Cl)c(F)c1OC
InChIInChI=1S/C11H15ClFNO2/c1-6(14)4-7-5-8(12)9(13)11(16-3)10(7)15-2/h5-6H,4,14H2,1-3H3
InChIKeyZGPDMXYYDHELTQ-UHFFFAOYSA-N
MW247.70 g/mol
LogP2.39
Rot. Bonds4

About 1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine

1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine (PubChem CID 117372462) has the molecular formula C11H15ClFNO2 and a molecular weight of 247.70 g/mol. Its IUPAC name is 1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine
PubChem CID117372462
Molecular FormulaC11H15ClFNO2
Molecular Weight247.70 g/mol
Exact Mass247.08
IUPAC Name1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine
SMILESCOc1c(CC(C)N)cc(Cl)c(F)c1OC
InChIInChI=1S/C11H15ClFNO2/c1-6(14)4-7-5-8(12)9(13)11(16-3)10(7)15-2/h5-6H,4,14H2,1-3H3
InChIKeyZGPDMXYYDHELTQ-UHFFFAOYSA-N
XLogP2.39
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.70
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-5-fluoro-2-methoxyphenyl)propan-2-amine
CID 83887889
1-(4-chloro-1-methoxynaphthalen-2-yl)propan-2-amine
CID 170891521
1-(3-chloro-2-fluoro-5,6-dimethoxyphenyl)propan-2-amine
CID 117372461
1-(5-chloro-2-fluoro-4-methoxyphenyl)propan-2-amine;hydrochloride
CID 170894016
1-(5-fluoro-2,3-dimethoxy-4-methylsulfanylphenyl)propan-2-amine
CID 117402228
1-(5-chloro-2,3-difluoro-6-methoxyphenyl)propan-2-amine
CID 83896789
4-chloro-3-fluoro-6-(2-hydroxypropyl)-2-methoxyphenol
CID 117341360
1-(3-chloro-5-fluoro-4-methoxyphenyl)propan-2-amine
CID 117310361
1-(3-bromo-5-fluoro-2-methoxyphenyl)propan-2-amine
CID 83902061
1-(5-chloro-2-fluoro-3-methoxyphenyl)propan-2-amine
CID 117310356
1-(5-chloro-2,4-difluorophenyl)propan-2-amine
CID 117294361
4-(2-aminopropyl)-6-chloro-2,3-difluorophenol
CID 117317248

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine?
The IUPAC name of 1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine (CID 117372462) is 1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine is COc1c(CC(C)N)cc(Cl)c(F)c1OC.
What is the InChIKey of 1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine?
The InChIKey is ZGPDMXYYDHELTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO2/c1-6(14)4-7-5-8(12)9(13)11(16-3)10(7)15-2/h5-6H,4,14H2,1-3H3.
What are the key properties of 1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine?
1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine has a molecular weight of 247.70 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine is sourced from PubChem (CID 117372462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).