1-(2-bromo-4-methylphenyl)butan-2-amine;hydrochloride

C11H17BrClN — CID 170889223

IUPAC1-(2-bromo-4-methylphenyl)butan-2-amine;hydrochloride
SMILESCCC(N)Cc1ccc(C)cc1Br.Cl
InChIInChI=1S/C11H16BrN.ClH/c1-3-10(13)7-9-5-4-8(2)6-11(9)12;/h4-6,10H,3,7,13H2,1-2H3;1H
InChIKeyCEZIGIDXMBKRIX-UHFFFAOYSA-N
MW278.62 g/mol
LogP3.46
Rot. Bonds3

About 1-(2-bromo-4-methylphenyl)butan-2-amine;hydrochloride

1-(2-bromo-4-methylphenyl)butan-2-amine;hydrochloride (PubChem CID 170889223) has the molecular formula C11H17BrClN and a molecular weight of 278.62 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)butan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)butan-2-amine;hydrochloride
PubChem CID170889223
Molecular FormulaC11H17BrClN
Molecular Weight278.62 g/mol
Exact Mass277.02
IUPAC Name1-(2-bromo-4-methylphenyl)butan-2-amine;hydrochloride
SMILESCCC(N)Cc1ccc(C)cc1Br.Cl
InChIInChI=1S/C11H16BrN.ClH/c1-3-10(13)7-9-5-4-8(2)6-11(9)12;/h4-6,10H,3,7,13H2,1-2H3;1H
InChIKeyCEZIGIDXMBKRIX-UHFFFAOYSA-N
XLogP3.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.62
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-1-(2-bromo-4-methylphenyl)propan-2-amine
CID 131058214
1-[2-(2-bromo-4-methylphenoxy)phenyl]butan-2-amine
CID 63802120
1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride
CID 170889680
1-[2-bromo-4-(1,2,4-triazol-1-yl)phenyl]butan-2-amine
CID 114061017
(2S)-3-(2-bromo-4-methylphenyl)-2-chloropropanenitrile
CID 93195030
3-(2-bromo-4-methylphenyl)-2-methylpropanoic acid
CID 83731619
1-[5-(2-aminobutyl)thiophen-2-yl]butan-2-amine;hydrochloride
CID 170888988
1-[4-(2,5-dimethylphenoxy)-2-methylphenyl]butan-2-amine
CID 63802262
2-(2-aminobutyl)-5-bromo-N,N-diethylaniline
CID 63787244
1-(3,5-dibromo-2-methoxyphenyl)butan-2-amine
CID 170889165
(2S)-2-amino-3-(2,4-dimethylphenyl)propan-1-ol;hydrochloride
CID 131885660
2-[4-(2-aminobutyl)-3-bromophenyl]sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 136897610

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)butan-2-amine;hydrochloride?
The IUPAC name of 1-(2-bromo-4-methylphenyl)butan-2-amine;hydrochloride (CID 170889223) is 1-(2-bromo-4-methylphenyl)butan-2-amine;hydrochloride.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)butan-2-amine;hydrochloride?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)butan-2-amine;hydrochloride is CCC(N)Cc1ccc(C)cc1Br.Cl.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)butan-2-amine;hydrochloride?
The InChIKey is CEZIGIDXMBKRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN.ClH/c1-3-10(13)7-9-5-4-8(2)6-11(9)12;/h4-6,10H,3,7,13H2,1-2H3;1H.
What are the key properties of 1-(2-bromo-4-methylphenyl)butan-2-amine;hydrochloride?
1-(2-bromo-4-methylphenyl)butan-2-amine;hydrochloride has a molecular weight of 278.62 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylphenyl)butan-2-amine;hydrochloride is sourced from PubChem (CID 170889223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).