1-(2-bromo-5-methylphenyl)-N,2-diethylbutan-1-amine

C15H24BrN — CID 105013849

IUPAC1-(2-bromo-5-methylphenyl)-N,2-diethylbutan-1-amine
SMILESCCNC(c1cc(C)ccc1Br)C(CC)CC
InChIInChI=1S/C15H24BrN/c1-5-12(6-2)15(17-7-3)13-10-11(4)8-9-14(13)16/h8-10,12,15,17H,5-7H2,1-4H3
InChIKeyJTWUMMLVTWPCCZ-UHFFFAOYSA-N
MW298.27 g/mol
LogP4.84
Rot. Bonds6

About 1-(2-bromo-5-methylphenyl)-N,2-diethylbutan-1-amine

1-(2-bromo-5-methylphenyl)-N,2-diethylbutan-1-amine (PubChem CID 105013849) has the molecular formula C15H24BrN and a molecular weight of 298.27 g/mol. Its IUPAC name is 1-(2-bromo-5-methylphenyl)-N,2-diethylbutan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-5-methylphenyl)-N,2-diethylbutan-1-amine
PubChem CID105013849
Molecular FormulaC15H24BrN
Molecular Weight298.27 g/mol
Exact Mass297.11
IUPAC Name1-(2-bromo-5-methylphenyl)-N,2-diethylbutan-1-amine
SMILESCCNC(c1cc(C)ccc1Br)C(CC)CC
InChIInChI=1S/C15H24BrN/c1-5-12(6-2)15(17-7-3)13-10-11(4)8-9-14(13)16/h8-10,12,15,17H,5-7H2,1-4H3
InChIKeyJTWUMMLVTWPCCZ-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-5-methylphenyl)-N-ethyl-2-methylpropan-1-amine
CID 114978438
1-(2-ethoxy-5-methylphenyl)-N,2-diethylbutan-1-amine
CID 63505527
1-(2-bromo-5-methylphenyl)-2-ethylbutan-1-amine
CID 105014086
N-[(2-bromo-5-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 115796785
N-[(2-bromo-5-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 81110085
1-(2-bromo-5-methylphenyl)-N-ethyl-4-methylpentan-1-amine
CID 115834278
1-(2-bromo-5-methylphenyl)-N-ethylpent-4-yn-1-amine
CID 115859283
1-(2-bromo-5-methylphenyl)-2-cyclopropyl-N-ethylethanamine
CID 104986405
1-(2-bromo-5-methylphenyl)-2-(2-bromophenyl)-N-ethylethanamine
CID 115787106
N-[(2-bromo-5-methylphenyl)-(2,5-dimethylthiophen-3-yl)methyl]ethanamine
CID 81110568
N,2-diethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine
CID 105045193
N-[(3-bromo-4-fluorophenyl)-(2-bromo-5-methylphenyl)methyl]ethanamine
CID 81109551

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methylphenyl)-N,2-diethylbutan-1-amine?
The IUPAC name of 1-(2-bromo-5-methylphenyl)-N,2-diethylbutan-1-amine (CID 105013849) is 1-(2-bromo-5-methylphenyl)-N,2-diethylbutan-1-amine.
What is the SMILES notation for 1-(2-bromo-5-methylphenyl)-N,2-diethylbutan-1-amine?
The canonical SMILES for 1-(2-bromo-5-methylphenyl)-N,2-diethylbutan-1-amine is CCNC(c1cc(C)ccc1Br)C(CC)CC.
What is the InChIKey of 1-(2-bromo-5-methylphenyl)-N,2-diethylbutan-1-amine?
The InChIKey is JTWUMMLVTWPCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN/c1-5-12(6-2)15(17-7-3)13-10-11(4)8-9-14(13)16/h8-10,12,15,17H,5-7H2,1-4H3.
What are the key properties of 1-(2-bromo-5-methylphenyl)-N,2-diethylbutan-1-amine?
1-(2-bromo-5-methylphenyl)-N,2-diethylbutan-1-amine has a molecular weight of 298.27 g/mol, XLogP of 4.84, 6 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)-N,2-diethylbutan-1-amine is sourced from PubChem (CID 105013849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).