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

C14H22BrN — CID 114330802

IUPAC1-(4-bromo-3,5-dimethylphenyl)-N-propylpropan-1-amine
SMILESCCCNC(CC)c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C14H22BrN/c1-5-7-16-13(6-2)12-8-10(3)14(15)11(4)9-12/h8-9,13,16H,5-7H2,1-4H3
InChIKeyVBLNOXOVFPZKJH-UHFFFAOYSA-N
MW284.24 g/mol
LogP4.52
Rot. Bonds5

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

1-(4-bromo-3,5-dimethylphenyl)-N-propylpropan-1-amine (PubChem CID 114330802) has the molecular formula C14H22BrN and a molecular weight of 284.24 g/mol. Its IUPAC name is 1-(4-bromo-3,5-dimethylphenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-3,5-dimethylphenyl)-N-propylpropan-1-amine
PubChem CID114330802
Molecular FormulaC14H22BrN
Molecular Weight284.24 g/mol
Exact Mass283.09
IUPAC Name1-(4-bromo-3,5-dimethylphenyl)-N-propylpropan-1-amine
SMILESCCCNC(CC)c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C14H22BrN/c1-5-7-16-13(6-2)12-8-10(3)14(15)11(4)9-12/h8-9,13,16H,5-7H2,1-4H3
InChIKeyVBLNOXOVFPZKJH-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-3,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine
CID 114330805
1-(4-bromo-3,5-dimethylphenyl)-N-propylpent-3-yn-1-amine
CID 114330852
1-(3-bromo-5-methylphenyl)-N-propylpropan-1-amine
CID 114979558
N-[1-(4-bromo-3,5-dimethylphenyl)-2-(3-bromothiophen-2-yl)ethyl]propan-1-amine
CID 114330808
N-[1-(4-bromo-3,5-dimethylphenyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 114330797
N-[1-(4-bromo-3,5-dimethylphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107051286
N-[(4-bromo-3,5-dimethylphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 114330849
1-(4-methoxy-3-methylphenyl)-N-propylpropan-1-amine
CID 43498177
N-[(4-bromo-3,5-dimethylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 114330791
1-[4-(4-bromophenyl)phenyl]-N-propylpropan-1-amine
CID 63888912
N-[(4-bromo-3,5-dimethylphenyl)-(3-bromofuran-2-yl)methyl]propan-1-amine
CID 114330770
N-[(4-bromo-3,5-dimethylphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102834065

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-N-propylpropan-1-amine?
The IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-N-propylpropan-1-amine (CID 114330802) is 1-(4-bromo-3,5-dimethylphenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(4-bromo-3,5-dimethylphenyl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(4-bromo-3,5-dimethylphenyl)-N-propylpropan-1-amine is CCCNC(CC)c1cc(C)c(Br)c(C)c1.
What is the InChIKey of 1-(4-bromo-3,5-dimethylphenyl)-N-propylpropan-1-amine?
The InChIKey is VBLNOXOVFPZKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN/c1-5-7-16-13(6-2)12-8-10(3)14(15)11(4)9-12/h8-9,13,16H,5-7H2,1-4H3.
What are the key properties of 1-(4-bromo-3,5-dimethylphenyl)-N-propylpropan-1-amine?
1-(4-bromo-3,5-dimethylphenyl)-N-propylpropan-1-amine has a molecular weight of 284.24 g/mol, XLogP of 4.52, 5 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)-N-propylpropan-1-amine is sourced from PubChem (CID 114330802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).