2-(4-bromophenyl)-3-methylbutan-2-amine;hydrochloride

C11H17BrClN — CID 75525874

IUPAC2-(4-bromophenyl)-3-methylbutan-2-amine;hydrochloride
SMILESCC(C)C(C)(N)c1ccc(Br)cc1.Cl
InChIInChI=1S/C11H16BrN.ClH/c1-8(2)11(3,13)9-4-6-10(12)7-5-9;/h4-8H,13H2,1-3H3;1H
InChIKeyFMOHRFHYTBYOAN-UHFFFAOYSA-N
MW278.62 g/mol
LogP3.70
Rot. Bonds2

About 2-(4-bromophenyl)-3-methylbutan-2-amine;hydrochloride

2-(4-bromophenyl)-3-methylbutan-2-amine;hydrochloride (PubChem CID 75525874) has the molecular formula C11H17BrClN and a molecular weight of 278.62 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-methylbutan-2-amine;hydrochloride.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-methylbutan-2-amine;hydrochloride
PubChem CID75525874
Molecular FormulaC11H17BrClN
Molecular Weight278.62 g/mol
Exact Mass277.02
IUPAC Name2-(4-bromophenyl)-3-methylbutan-2-amine;hydrochloride
SMILESCC(C)C(C)(N)c1ccc(Br)cc1.Cl
InChIInChI=1S/C11H16BrN.ClH/c1-8(2)11(3,13)9-4-6-10(12)7-5-9;/h4-8H,13H2,1-3H3;1H
InChIKeyFMOHRFHYTBYOAN-UHFFFAOYSA-N
XLogP3.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.62
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-tert-butylphenyl)-3-methylbutan-2-amine
CID 62548190
2-(4-bromophenyl)-4-methoxy-3-methylbutan-2-amine
CID 115624963
2-(4-bromophenyl)propan-2-amine;hydroiodide
CID 163210830
2-amino-2-(4-bromophenyl)-1-ethoxypropan-1-ol
CID 148725650
(2S)-3-amino-2-(4-bromophenyl)butan-2-ol
CID 153252372
2-(4-bromophenyl)-N'-hydroxy-2,3-dimethylbutanimidamide
CID 88572366
2-(4-bromophenyl)-N'-hydroxy-2,3-dimethylbutanimidamide
CID 127264014
2-(4-bromophenyl)propane-2-thiol
CID 21489042
(2R,3R)-2,3-bis(4-bromophenyl)butane-2,3-diol
CID 100920235
2-(5-bromothiophen-2-yl)-3-methylbutan-2-amine
CID 82296179
1-bromo-4-(4-tert-butylphenyl)sulfanylbenzene
CID 19764811
2-(4-bromophenyl)-3-methylpentan-2-ol
CID 79445926

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-methylbutan-2-amine;hydrochloride?
The IUPAC name of 2-(4-bromophenyl)-3-methylbutan-2-amine;hydrochloride (CID 75525874) is 2-(4-bromophenyl)-3-methylbutan-2-amine;hydrochloride.
What is the SMILES notation for 2-(4-bromophenyl)-3-methylbutan-2-amine;hydrochloride?
The canonical SMILES for 2-(4-bromophenyl)-3-methylbutan-2-amine;hydrochloride is CC(C)C(C)(N)c1ccc(Br)cc1.Cl.
What is the InChIKey of 2-(4-bromophenyl)-3-methylbutan-2-amine;hydrochloride?
The InChIKey is FMOHRFHYTBYOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN.ClH/c1-8(2)11(3,13)9-4-6-10(12)7-5-9;/h4-8H,13H2,1-3H3;1H.
What are the key properties of 2-(4-bromophenyl)-3-methylbutan-2-amine;hydrochloride?
2-(4-bromophenyl)-3-methylbutan-2-amine;hydrochloride has a molecular weight of 278.62 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-methylbutan-2-amine;hydrochloride is sourced from PubChem (CID 75525874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).