1-(3-bromo-5-methylphenyl)-N-propylpropan-1-amine

C13H20BrN — CID 114979558

IUPAC1-(3-bromo-5-methylphenyl)-N-propylpropan-1-amine
SMILESCCCNC(CC)c1cc(C)cc(Br)c1
InChIInChI=1S/C13H20BrN/c1-4-6-15-13(5-2)11-7-10(3)8-12(14)9-11/h7-9,13,15H,4-6H2,1-3H3
InChIKeySYLKQDXHWMIDEP-UHFFFAOYSA-N
MW270.21 g/mol
LogP4.21
Rot. Bonds5

About 1-(3-bromo-5-methylphenyl)-N-propylpropan-1-amine

1-(3-bromo-5-methylphenyl)-N-propylpropan-1-amine (PubChem CID 114979558) has the molecular formula C13H20BrN and a molecular weight of 270.21 g/mol. Its IUPAC name is 1-(3-bromo-5-methylphenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-5-methylphenyl)-N-propylpropan-1-amine
PubChem CID114979558
Molecular FormulaC13H20BrN
Molecular Weight270.21 g/mol
Exact Mass269.08
IUPAC Name1-(3-bromo-5-methylphenyl)-N-propylpropan-1-amine
SMILESCCCNC(CC)c1cc(C)cc(Br)c1
InChIInChI=1S/C13H20BrN/c1-4-6-15-13(5-2)11-7-10(3)8-12(14)9-11/h7-9,13,15H,4-6H2,1-3H3
InChIKeySYLKQDXHWMIDEP-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 54.21
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
N-[1-(3-bromo-5-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 104997069
N-[1-(3-bromo-5-methylphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105030516
N-[(3-bromo-5-methylphenyl)-(3-bromothiophen-2-yl)methyl]propan-1-amine
CID 104851374
1-(3,5-dibromophenyl)-N-propylbut-3-en-1-amine
CID 107973949
N-[(3-bromo-5-methylphenyl)-cyclohexylmethyl]propan-1-amine
CID 114981193
1-(3,5-dimethylphenyl)-4-methyl-N-propylpentan-1-amine
CID 63417237
1-[4-(4-bromophenyl)phenyl]-N-propylpropan-1-amine
CID 63888912
N-[(3-bromo-5-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methyl]propan-1-amine
CID 102827845
N-[(3-bromo-5-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 104851227
N-[(3-bromo-5-methylphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 104851281
1-(3-bromo-5-methylphenyl)pentylhydrazine
CID 105293715

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylphenyl)-N-propylpropan-1-amine?
The IUPAC name of 1-(3-bromo-5-methylphenyl)-N-propylpropan-1-amine (CID 114979558) is 1-(3-bromo-5-methylphenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3-bromo-5-methylphenyl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(3-bromo-5-methylphenyl)-N-propylpropan-1-amine is CCCNC(CC)c1cc(C)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-methylphenyl)-N-propylpropan-1-amine?
The InChIKey is SYLKQDXHWMIDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN/c1-4-6-15-13(5-2)11-7-10(3)8-12(14)9-11/h7-9,13,15H,4-6H2,1-3H3.
What are the key properties of 1-(3-bromo-5-methylphenyl)-N-propylpropan-1-amine?
1-(3-bromo-5-methylphenyl)-N-propylpropan-1-amine has a molecular weight of 270.21 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylphenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 114979558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).