(2S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine

C11H16BrNO2 — CID 23983765

IUPAC(2S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine
SMILESCOc1cc(C[C@H](C)N)c(OC)cc1Br
InChIInChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3/t7-/m0/s1
InChIKeyFXMWUTGUCAKGQL-ZETCQYMHSA-N
MW274.16 g/mol
LogP2.36
Rot. Bonds4

About (2S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine

(2S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine (PubChem CID 23983765) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is (2S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine
PubChem CID23983765
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name(2S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine
SMILESCOc1cc(C[C@H](C)N)c(OC)cc1Br
InChIInChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3/t7-/m0/s1
InChIKeyFXMWUTGUCAKGQL-ZETCQYMHSA-N
XLogP2.36
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine?
The IUPAC name of (2S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine (CID 23983765) is (2S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine.
What is the SMILES notation for (2S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine?
The canonical SMILES for (2S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine is COc1cc(C[C@H](C)N)c(OC)cc1Br.
What is the InChIKey of (2S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine?
The InChIKey is FXMWUTGUCAKGQL-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3/t7-/m0/s1.
What are the key properties of (2S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine?
(2S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine has a molecular weight of 274.16 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine is sourced from PubChem (CID 23983765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).