1-(4-bromo-2-methylphenyl)-2-methylbutan-1-amine

C12H18BrN — CID 105017362

IUPAC1-(4-bromo-2-methylphenyl)-2-methylbutan-1-amine
SMILESCCC(C)C(N)c1ccc(Br)cc1C
InChIInChI=1S/C12H18BrN/c1-4-8(2)12(14)11-6-5-10(13)7-9(11)3/h5-8,12H,4,14H2,1-3H3
InChIKeyYSVGTIUDDFWYBL-UHFFFAOYSA-N
MW256.19 g/mol
LogP3.80
Rot. Bonds3

About 1-(4-bromo-2-methylphenyl)-2-methylbutan-1-amine

1-(4-bromo-2-methylphenyl)-2-methylbutan-1-amine (PubChem CID 105017362) has the molecular formula C12H18BrN and a molecular weight of 256.19 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-2-methylbutan-1-amine
PubChem CID105017362
Molecular FormulaC12H18BrN
Molecular Weight256.19 g/mol
Exact Mass255.06
IUPAC Name1-(4-bromo-2-methylphenyl)-2-methylbutan-1-amine
SMILESCCC(C)C(N)c1ccc(Br)cc1C
InChIInChI=1S/C12H18BrN/c1-4-8(2)12(14)11-6-5-10(13)7-9(11)3/h5-8,12H,4,14H2,1-3H3
InChIKeyYSVGTIUDDFWYBL-UHFFFAOYSA-N
XLogP3.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-dibromophenyl)-2-methylbutan-1-amine
CID 107946440
(1R)-1-(4-bromo-2-methylphenyl)-2-methylpropan-1-amine
CID 96662464
1-(4-bromo-2-methylphenyl)-2-methylpropan-1-amine
CID 82477672
(1S)-1-(4-bromo-2-chlorophenyl)-2-methylbutan-1-amine;hydrochloride
CID 171223655
2-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 64989658
(1R)-1-(4-chloro-2-methylphenyl)-2-methylbutan-1-amine
CID 130804178
[1-(4-bromo-2-methylphenyl)-2-methylbutyl]hydrazine
CID 105325669
1-(5-bromo-2-fluorophenyl)-2-methylbutan-1-amine
CID 79742752
2-[(1R)-1-amino-2-methylbutyl]-4-bromophenol;hydrochloride
CID 171198644
(1S)-1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171221153
(1R)-1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171201616
1-(2-bromo-3-methylphenyl)-2-methylbutan-1-amine
CID 107985251

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-2-methylbutan-1-amine?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-2-methylbutan-1-amine (CID 105017362) is 1-(4-bromo-2-methylphenyl)-2-methylbutan-1-amine.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-2-methylbutan-1-amine?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-2-methylbutan-1-amine is CCC(C)C(N)c1ccc(Br)cc1C.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-2-methylbutan-1-amine?
The InChIKey is YSVGTIUDDFWYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN/c1-4-8(2)12(14)11-6-5-10(13)7-9(11)3/h5-8,12H,4,14H2,1-3H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-2-methylbutan-1-amine?
1-(4-bromo-2-methylphenyl)-2-methylbutan-1-amine has a molecular weight of 256.19 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-2-methylbutan-1-amine is sourced from PubChem (CID 105017362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).