1-(2-bromo-5-methylphenyl)butan-1-amine

C11H16BrN — CID 83988260

IUPAC1-(2-bromo-5-methylphenyl)butan-1-amine
SMILESCCCC(N)c1cc(C)ccc1Br
InChIInChI=1S/C11H16BrN/c1-3-4-11(13)9-7-8(2)5-6-10(9)12/h5-7,11H,3-4,13H2,1-2H3
InChIKeyNBIPUWFLMVDKJH-UHFFFAOYSA-N
MW242.16 g/mol
LogP3.56
Rot. Bonds3

About 1-(2-bromo-5-methylphenyl)butan-1-amine

1-(2-bromo-5-methylphenyl)butan-1-amine (PubChem CID 83988260) has the molecular formula C11H16BrN and a molecular weight of 242.16 g/mol. Its IUPAC name is 1-(2-bromo-5-methylphenyl)butan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-5-methylphenyl)butan-1-amine
PubChem CID83988260
Molecular FormulaC11H16BrN
Molecular Weight242.16 g/mol
Exact Mass241.05
IUPAC Name1-(2-bromo-5-methylphenyl)butan-1-amine
SMILESCCCC(N)c1cc(C)ccc1Br
InChIInChI=1S/C11H16BrN/c1-3-4-11(13)9-7-8(2)5-6-10(9)12/h5-7,11H,3-4,13H2,1-2H3
InChIKeyNBIPUWFLMVDKJH-UHFFFAOYSA-N
XLogP3.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.16
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(2-bromo-4-methylphenyl)butan-1-amine;hydrochloride
CID 171202123
1-(2-bromo-5-fluorophenyl)butan-1-amine
CID 83988354
(1S)-1-(2-bromo-5-fluorophenyl)butan-1-amine
CID 103694433
1-(2-bromo-5-methylphenyl)pent-4-en-1-amine
CID 104987802
(1S)-1-(2-ethyl-5-methylphenyl)butan-1-amine
CID 55296637
1-(2-bromo-5-methylphenyl)-3-methylsulfonylpropan-1-amine
CID 115848720
1-(2-bromo-5-methylphenyl)-3-methylpentan-1-amine
CID 115846478
(1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine
CID 55278250
1-(2-bromo-5-methylphenyl)-2-ethylbutan-1-amine
CID 105014086
2-[(1S)-1-aminobutyl]-5-methylphenol;hydrochloride
CID 171232006
1-(5-methyl-2-propan-2-yloxyphenyl)butan-1-amine
CID 82550097
1-(2-bromo-5-methylphenyl)-2-(3-methylphenyl)ethanamine
CID 81111638

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methylphenyl)butan-1-amine?
The IUPAC name of 1-(2-bromo-5-methylphenyl)butan-1-amine (CID 83988260) is 1-(2-bromo-5-methylphenyl)butan-1-amine.
What is the SMILES notation for 1-(2-bromo-5-methylphenyl)butan-1-amine?
The canonical SMILES for 1-(2-bromo-5-methylphenyl)butan-1-amine is CCCC(N)c1cc(C)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-methylphenyl)butan-1-amine?
The InChIKey is NBIPUWFLMVDKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN/c1-3-4-11(13)9-7-8(2)5-6-10(9)12/h5-7,11H,3-4,13H2,1-2H3.
What are the key properties of 1-(2-bromo-5-methylphenyl)butan-1-amine?
1-(2-bromo-5-methylphenyl)butan-1-amine has a molecular weight of 242.16 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methylphenyl)butan-1-amine is sourced from PubChem (CID 83988260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).