(1S,2S)-1-(4-bromo-2,5-dimethoxyphenyl)-1-methoxypropan-2-amine;hydrochloride

C12H19BrClNO3 — CID 10042912

IUPAC(1S,2S)-1-(4-bromo-2,5-dimethoxyphenyl)-1-methoxypropan-2-amine;hydrochloride
SMILESCOc1cc([C@H](OC)[C@H](C)N)c(OC)cc1Br.Cl
InChIInChI=1S/C12H18BrNO3.ClH/c1-7(14)12(17-4)8-5-11(16-3)9(13)6-10(8)15-2;/h5-7,12H,14H2,1-4H3;1H/t7-,12+;/m0./s1
InChIKeyCCJDUYFALFDUCV-OGGLPTJSSA-N
MW340.65 g/mol
LogP2.92
Rot. Bonds5

About (1S,2S)-1-(4-bromo-2,5-dimethoxyphenyl)-1-methoxypropan-2-amine;hydrochloride

(1S,2S)-1-(4-bromo-2,5-dimethoxyphenyl)-1-methoxypropan-2-amine;hydrochloride (PubChem CID 10042912) has the molecular formula C12H19BrClNO3 and a molecular weight of 340.65 g/mol. Its IUPAC name is (1S,2S)-1-(4-bromo-2,5-dimethoxyphenyl)-1-methoxypropan-2-amine;hydrochloride.

Molecular Properties

Compound Name(1S,2S)-1-(4-bromo-2,5-dimethoxyphenyl)-1-methoxypropan-2-amine;hydrochloride
PubChem CID10042912
Molecular FormulaC12H19BrClNO3
Molecular Weight340.65 g/mol
Exact Mass339.02
IUPAC Name(1S,2S)-1-(4-bromo-2,5-dimethoxyphenyl)-1-methoxypropan-2-amine;hydrochloride
SMILESCOc1cc([C@H](OC)[C@H](C)N)c(OC)cc1Br.Cl
InChIInChI=1S/C12H18BrNO3.ClH/c1-7(14)12(17-4)8-5-11(16-3)9(13)6-10(8)15-2;/h5-7,12H,14H2,1-4H3;1H/t7-,12+;/m0./s1
InChIKeyCCJDUYFALFDUCV-OGGLPTJSSA-N
XLogP2.92
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.65
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(4-bromo-2,5-dimethoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171214707
2-amino-1-(4-bromo-2,5-dimethoxyphenyl)propan-1-ol
CID 58644855
(1S)-1-(4-bromo-2,5-dimethoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171214686
(4R)-4-amino-4-(4-bromo-2,5-dimethoxyphenyl)butan-1-ol;hydrochloride
CID 171214742
1-bromo-4-[1-(4-bromo-2,5-dimethoxyphenyl)-2-methylpropyl]-2,5-dimethoxybenzene
CID 71326987
2-(1-aminoethyl)-5-bromo-4-methoxyphenol
CID 84705553
(1R,2S)-1-amino-1-(4-bromo-2,5-dimethoxyphenyl)-3-methylbutan-2-ol
CID 171265464
2-(4-bromo-2,5-dimethoxyphenyl)-2-methoxyethanamine
CID 15185771
(1S)-1-(4-bromo-2,5-dimethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
CID 171311975
(4-bromo-2,5-dimethoxyphenyl)-(2-bromophenyl)methanamine
CID 105056652
(1S)-1-(4-bromo-2,5-dimethoxyphenyl)-2-cyclopropylethanamine;hydrochloride
CID 171234340
(1R)-1-(4-bromo-2,5-dimethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 171312687

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-(4-bromo-2,5-dimethoxyphenyl)-1-methoxypropan-2-amine;hydrochloride?
The IUPAC name of (1S,2S)-1-(4-bromo-2,5-dimethoxyphenyl)-1-methoxypropan-2-amine;hydrochloride (CID 10042912) is (1S,2S)-1-(4-bromo-2,5-dimethoxyphenyl)-1-methoxypropan-2-amine;hydrochloride.
What is the SMILES notation for (1S,2S)-1-(4-bromo-2,5-dimethoxyphenyl)-1-methoxypropan-2-amine;hydrochloride?
The canonical SMILES for (1S,2S)-1-(4-bromo-2,5-dimethoxyphenyl)-1-methoxypropan-2-amine;hydrochloride is COc1cc([C@H](OC)[C@H](C)N)c(OC)cc1Br.Cl.
What is the InChIKey of (1S,2S)-1-(4-bromo-2,5-dimethoxyphenyl)-1-methoxypropan-2-amine;hydrochloride?
The InChIKey is CCJDUYFALFDUCV-OGGLPTJSSA-N. The full InChI is InChI=1S/C12H18BrNO3.ClH/c1-7(14)12(17-4)8-5-11(16-3)9(13)6-10(8)15-2;/h5-7,12H,14H2,1-4H3;1H/t7-,12+;/m0./s1.
What are the key properties of (1S,2S)-1-(4-bromo-2,5-dimethoxyphenyl)-1-methoxypropan-2-amine;hydrochloride?
(1S,2S)-1-(4-bromo-2,5-dimethoxyphenyl)-1-methoxypropan-2-amine;hydrochloride has a molecular weight of 340.65 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-(4-bromo-2,5-dimethoxyphenyl)-1-methoxypropan-2-amine;hydrochloride is sourced from PubChem (CID 10042912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).