1-(2-bromo-5-methylphenyl)-3-methylpentan-1-amine

C13H20BrN — CID 115846478

IUPAC1-(2-bromo-5-methylphenyl)-3-methylpentan-1-amine
SMILESCCC(C)CC(N)c1cc(C)ccc1Br
InChIInChI=1S/C13H20BrN/c1-4-9(2)8-13(15)11-7-10(3)5-6-12(11)14/h5-7,9,13H,4,8,15H2,1-3H3
InChIKeyHGMKGQAOSJGBCC-UHFFFAOYSA-N
MW270.21 g/mol
LogP4.19
Rot. Bonds4

About 1-(2-bromo-5-methylphenyl)-3-methylpentan-1-amine

1-(2-bromo-5-methylphenyl)-3-methylpentan-1-amine (PubChem CID 115846478) has the molecular formula C13H20BrN and a molecular weight of 270.21 g/mol. Its IUPAC name is 1-(2-bromo-5-methylphenyl)-3-methylpentan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-5-methylphenyl)-3-methylpentan-1-amine
PubChem CID115846478
Molecular FormulaC13H20BrN
Molecular Weight270.21 g/mol
Exact Mass269.08
IUPAC Name1-(2-bromo-5-methylphenyl)-3-methylpentan-1-amine
SMILESCCC(C)CC(N)c1cc(C)ccc1Br
InChIInChI=1S/C13H20BrN/c1-4-9(2)8-13(15)11-7-10(3)5-6-12(11)14/h5-7,9,13H,4,8,15H2,1-3H3
InChIKeyHGMKGQAOSJGBCC-UHFFFAOYSA-N
XLogP4.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-5-methylphenyl)butan-1-amine
CID 83988260
1-(2-bromo-5-methylphenyl)-2-ethylbutan-1-amine
CID 105014086
(1S)-1-(2-bromo-5-methylphenyl)-2-methylpropan-1-amine
CID 131010900
1-(2-bromo-5-methylphenyl)-2-(3-methylphenyl)ethanamine
CID 81111638
1-(2-bromo-5-methylphenyl)pent-4-en-1-amine
CID 104987802
1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-methylpentan-1-amine
CID 114874205
(1S)-1-amino-1-(2-bromo-5-methylphenyl)propan-2-ol
CID 130612521
1-bromo-2-[(4-butan-2-ylphenyl)-chloromethyl]-4-methylbenzene
CID 81112235
1-(2-bromo-5-methylphenyl)-3-methylsulfonylpropan-1-amine
CID 115848720
1-(2-bromo-5-methylphenyl)-3-methylbutan-1-ol
CID 83988258
1-(4-bromo-5-methylthiophen-2-yl)-3-methylpentan-1-amine
CID 102827028
1-(2-fluoro-5-methylphenyl)-3,5-dimethylhexan-1-amine
CID 114201084

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methylphenyl)-3-methylpentan-1-amine?
The IUPAC name of 1-(2-bromo-5-methylphenyl)-3-methylpentan-1-amine (CID 115846478) is 1-(2-bromo-5-methylphenyl)-3-methylpentan-1-amine.
What is the SMILES notation for 1-(2-bromo-5-methylphenyl)-3-methylpentan-1-amine?
The canonical SMILES for 1-(2-bromo-5-methylphenyl)-3-methylpentan-1-amine is CCC(C)CC(N)c1cc(C)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-methylphenyl)-3-methylpentan-1-amine?
The InChIKey is HGMKGQAOSJGBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN/c1-4-9(2)8-13(15)11-7-10(3)5-6-12(11)14/h5-7,9,13H,4,8,15H2,1-3H3.
What are the key properties of 1-(2-bromo-5-methylphenyl)-3-methylpentan-1-amine?
1-(2-bromo-5-methylphenyl)-3-methylpentan-1-amine has a molecular weight of 270.21 g/mol, XLogP of 4.19, 4 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)-3-methylpentan-1-amine is sourced from PubChem (CID 115846478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).