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

C11H15ClFNO2 — CID 117372512

IUPAC2-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine
SMILESCOc1c(C(C)(C)N)cc(Cl)c(F)c1OC
InChIInChI=1S/C11H15ClFNO2/c1-11(2,14)6-5-7(12)8(13)10(16-4)9(6)15-3/h5H,14H2,1-4H3
InChIKeyUSRVFGIGHHTHGY-UHFFFAOYSA-N
MW247.70 g/mol
LogP2.69
Rot. Bonds3

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

2-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine (PubChem CID 117372512) has the molecular formula C11H15ClFNO2 and a molecular weight of 247.70 g/mol. Its IUPAC name is 2-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine
PubChem CID117372512
Molecular FormulaC11H15ClFNO2
Molecular Weight247.70 g/mol
Exact Mass247.08
IUPAC Name2-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine
SMILESCOc1c(C(C)(C)N)cc(Cl)c(F)c1OC
InChIInChI=1S/C11H15ClFNO2/c1-11(2,14)6-5-7(12)8(13)10(16-4)9(6)15-3/h5H,14H2,1-4H3
InChIKeyUSRVFGIGHHTHGY-UHFFFAOYSA-N
XLogP2.69
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.70
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine?
The IUPAC name of 2-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine (CID 117372512) is 2-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine.
What is the SMILES notation for 2-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine?
The canonical SMILES for 2-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine is COc1c(C(C)(C)N)cc(Cl)c(F)c1OC.
What is the InChIKey of 2-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine?
The InChIKey is USRVFGIGHHTHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO2/c1-11(2,14)6-5-7(12)8(13)10(16-4)9(6)15-3/h5H,14H2,1-4H3.
What are the key properties of 2-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine?
2-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine has a molecular weight of 247.70 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine is sourced from PubChem (CID 117372512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).