1-(4-bromophenyl)-1-methoxypropan-2-amine;hydrochloride

C10H15BrClNO — CID 71758011

IUPAC1-(4-bromophenyl)-1-methoxypropan-2-amine;hydrochloride
SMILESCOC(c1ccc(Br)cc1)C(C)N.Cl
InChIInChI=1S/C10H14BrNO.ClH/c1-7(12)10(13-2)8-3-5-9(11)6-4-8;/h3-7,10H,12H2,1-2H3;1H
InChIKeyOLSORIXUJOLZPG-UHFFFAOYSA-N
MW280.59 g/mol
LogP2.91
Rot. Bonds3

About 1-(4-bromophenyl)-1-methoxypropan-2-amine;hydrochloride

1-(4-bromophenyl)-1-methoxypropan-2-amine;hydrochloride (PubChem CID 71758011) has the molecular formula C10H15BrClNO and a molecular weight of 280.59 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-methoxypropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-methoxypropan-2-amine;hydrochloride
PubChem CID71758011
Molecular FormulaC10H15BrClNO
Molecular Weight280.59 g/mol
Exact Mass279.00
IUPAC Name1-(4-bromophenyl)-1-methoxypropan-2-amine;hydrochloride
SMILESCOC(c1ccc(Br)cc1)C(C)N.Cl
InChIInChI=1S/C10H14BrNO.ClH/c1-7(12)10(13-2)8-3-5-9(11)6-4-8;/h3-7,10H,12H2,1-2H3;1H
InChIKeyOLSORIXUJOLZPG-UHFFFAOYSA-N
XLogP2.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.59
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-methoxypropan-2-amine;hydrochloride?
The IUPAC name of 1-(4-bromophenyl)-1-methoxypropan-2-amine;hydrochloride (CID 71758011) is 1-(4-bromophenyl)-1-methoxypropan-2-amine;hydrochloride.
What is the SMILES notation for 1-(4-bromophenyl)-1-methoxypropan-2-amine;hydrochloride?
The canonical SMILES for 1-(4-bromophenyl)-1-methoxypropan-2-amine;hydrochloride is COC(c1ccc(Br)cc1)C(C)N.Cl.
What is the InChIKey of 1-(4-bromophenyl)-1-methoxypropan-2-amine;hydrochloride?
The InChIKey is OLSORIXUJOLZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO.ClH/c1-7(12)10(13-2)8-3-5-9(11)6-4-8;/h3-7,10H,12H2,1-2H3;1H.
What are the key properties of 1-(4-bromophenyl)-1-methoxypropan-2-amine;hydrochloride?
1-(4-bromophenyl)-1-methoxypropan-2-amine;hydrochloride has a molecular weight of 280.59 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-methoxypropan-2-amine;hydrochloride is sourced from PubChem (CID 71758011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).