1-(4-bromo-3,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine

C17H28BrN — CID 114330805

IUPAC1-(4-bromo-3,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine
SMILESCCCNC(CC(C)CC)c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C17H28BrN/c1-6-8-19-16(9-12(3)7-2)15-10-13(4)17(18)14(5)11-15/h10-12,16,19H,6-9H2,1-5H3
InChIKeyUEXZGTWWEDFKNL-UHFFFAOYSA-N
MW326.32 g/mol
LogP5.54
Rot. Bonds7

About 1-(4-bromo-3,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine

1-(4-bromo-3,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine (PubChem CID 114330805) has the molecular formula C17H28BrN and a molecular weight of 326.32 g/mol. Its IUPAC name is 1-(4-bromo-3,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-3,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine
PubChem CID114330805
Molecular FormulaC17H28BrN
Molecular Weight326.32 g/mol
Exact Mass325.14
IUPAC Name1-(4-bromo-3,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine
SMILESCCCNC(CC(C)CC)c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C17H28BrN/c1-6-8-19-16(9-12(3)7-2)15-10-13(4)17(18)14(5)11-15/h10-12,16,19H,6-9H2,1-5H3
InChIKeyUEXZGTWWEDFKNL-UHFFFAOYSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.32
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-3,5-dimethylphenyl)-N-propylpropan-1-amine
CID 114330802
1-(5-bromo-2-methylphenyl)-3-methyl-N-propylpentan-1-amine
CID 115846083
1-(4-bromophenyl)-3-methyl-N-propylpentan-1-amine
CID 55186607
1-(4-bromo-3,5-dimethylphenyl)-N-propylpent-3-yn-1-amine
CID 114330852
1-(5-bromo-4-methylthiophen-2-yl)-3-methyl-N-propylpentan-1-amine
CID 114874529
3-methyl-1-(5-methylfuran-3-yl)-N-propylpentan-1-amine
CID 115846210
3-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 63412385
[1-(4-bromo-3,5-dimethylphenyl)-3-methylhexyl]hydrazine
CID 105279490
1-(2-chloro-4,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine
CID 114874585
1-(5-bromo-2-methoxy-4-methylphenyl)-3-methyl-N-propylpentan-1-amine
CID 114874508
1-(3,5-dimethylphenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105096998
N-[1-(4-bromo-3,5-dimethylphenyl)-2-(3-bromothiophen-2-yl)ethyl]propan-1-amine
CID 114330808

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine (CID 114330805) is 1-(4-bromo-3,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(4-bromo-3,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(4-bromo-3,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine is CCCNC(CC(C)CC)c1cc(C)c(Br)c(C)c1.
What is the InChIKey of 1-(4-bromo-3,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine?
The InChIKey is UEXZGTWWEDFKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrN/c1-6-8-19-16(9-12(3)7-2)15-10-13(4)17(18)14(5)11-15/h10-12,16,19H,6-9H2,1-5H3.
What are the key properties of 1-(4-bromo-3,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine?
1-(4-bromo-3,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine has a molecular weight of 326.32 g/mol, XLogP of 5.54, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 114330805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).