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

C11H17Br2NO2 — CID 102602641

IUPAC(2S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine;hydrobromide
SMILESBr.COc1cc(C[C@H](C)N)c(OC)cc1Br
InChIInChI=1S/C11H16BrNO2.BrH/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2;/h5-7H,4,13H2,1-3H3;1H/t7-;/m0./s1
InChIKeyKOUBEZAODVTFTG-FJXQXJEOSA-N
MW355.07 g/mol
LogP2.93
Rot. Bonds4

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

(2S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine;hydrobromide (PubChem CID 102602641) has the molecular formula C11H17Br2NO2 and a molecular weight of 355.07 g/mol. Its IUPAC name is (2S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine;hydrobromide.

Molecular Properties

Compound Name(2S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine;hydrobromide
PubChem CID102602641
Molecular FormulaC11H17Br2NO2
Molecular Weight355.07 g/mol
Exact Mass352.96
IUPAC Name(2S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine;hydrobromide
SMILESBr.COc1cc(C[C@H](C)N)c(OC)cc1Br
InChIInChI=1S/C11H16BrNO2.BrH/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2;/h5-7H,4,13H2,1-3H3;1H/t7-;/m0./s1
InChIKeyKOUBEZAODVTFTG-FJXQXJEOSA-N
XLogP2.93
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.07
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-yl]azanium
CID 25271630
(2S)-1-(2,5-dimethoxy-4-propylphenyl)propan-2-amine
CID 121489695
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
1-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]propan-2-amine
CID 170143488
1-(3-bromo-2,4,5-trimethoxyphenyl)propan-2-amine
CID 117489390
1-(4-iodo-2-methoxy-5-methylphenyl)propan-2-amine
CID 167705382
2-(4-bromo-2,5-dimethoxyphenyl)ethanamine;1-(3-ethylsulfanyl-2,5-dimethoxyphenyl)propan-2-amine
CID 71236329
1-(4-bromo-3-chloro-2,5-dimethoxyphenyl)propan-2-amine
CID 169028862
(2R)-1-(4-benzyl-2,5-dimethoxyphenyl)propan-2-amine
CID 69398998
1-[1-(4-bromo-2,5-dimethoxyphenyl)propan-2-yl]-2,2,5,5-tetramethyl-1,2,5-azadisilolidine
CID 14201979
1-(2,5-dimethoxy-4-pentylsulfanylphenyl)propan-2-amine
CID 11461761
1-bromo-4-(iodomethyl)-2,5-dimethoxybenzene
CID 64787018

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine;hydrobromide?
The IUPAC name of (2S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine;hydrobromide (CID 102602641) is (2S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine;hydrobromide.
What is the SMILES notation for (2S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine;hydrobromide?
The canonical SMILES for (2S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine;hydrobromide is Br.COc1cc(C[C@H](C)N)c(OC)cc1Br.
What is the InChIKey of (2S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine;hydrobromide?
The InChIKey is KOUBEZAODVTFTG-FJXQXJEOSA-N. The full InChI is InChI=1S/C11H16BrNO2.BrH/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2;/h5-7H,4,13H2,1-3H3;1H/t7-;/m0./s1.
What are the key properties of (2S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine;hydrobromide?
(2S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine;hydrobromide has a molecular weight of 355.07 g/mol, XLogP of 2.93, 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;hydrobromide is sourced from PubChem (CID 102602641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).