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

C11H17BrClNO2 — CID 12626562

IUPAC1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine;hydrochloride
SMILESCOc1cc(CC(C)N)c(OC)cc1Br.Cl
InChIInChI=1S/C11H16BrNO2.ClH/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2;/h5-7H,4,13H2,1-3H3;1H
InChIKeySPBBKPOIDQIWDZ-UHFFFAOYSA-N
MW310.62 g/mol
LogP2.78
Rot. Bonds4

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

1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine;hydrochloride (PubChem CID 12626562) has the molecular formula C11H17BrClNO2 and a molecular weight of 310.62 g/mol. Its IUPAC name is 1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine;hydrochloride
PubChem CID12626562
Molecular FormulaC11H17BrClNO2
Molecular Weight310.62 g/mol
Exact Mass309.01
IUPAC Name1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine;hydrochloride
SMILESCOc1cc(CC(C)N)c(OC)cc1Br.Cl
InChIInChI=1S/C11H16BrNO2.ClH/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2;/h5-7H,4,13H2,1-3H3;1H
InChIKeySPBBKPOIDQIWDZ-UHFFFAOYSA-N
XLogP2.78
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.62
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine;hydrochloride?
The IUPAC name of 1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine;hydrochloride (CID 12626562) is 1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine;hydrochloride.
What is the SMILES notation for 1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine;hydrochloride?
The canonical SMILES for 1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine;hydrochloride is COc1cc(CC(C)N)c(OC)cc1Br.Cl.
What is the InChIKey of 1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine;hydrochloride?
The InChIKey is SPBBKPOIDQIWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2.ClH/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2;/h5-7H,4,13H2,1-3H3;1H.
What are the key properties of 1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine;hydrochloride?
1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine;hydrochloride has a molecular weight of 310.62 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine;hydrochloride is sourced from PubChem (CID 12626562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).