4-(2,5-dibromophenyl)-N-propylbutan-1-amine

C13H19Br2N — CID 65305623

IUPAC4-(2,5-dibromophenyl)-N-propylbutan-1-amine
SMILESCCCNCCCCc1cc(Br)ccc1Br
InChIInChI=1S/C13H19Br2N/c1-2-8-16-9-4-3-5-11-10-12(14)6-7-13(11)15/h6-7,10,16H,2-5,8-9H2,1H3
InChIKeyVYAPNCJZVBNRKF-UHFFFAOYSA-N
MW349.11 g/mol
LogP4.53
Rot. Bonds7

About 4-(2,5-dibromophenyl)-N-propylbutan-1-amine

4-(2,5-dibromophenyl)-N-propylbutan-1-amine (PubChem CID 65305623) has the molecular formula C13H19Br2N and a molecular weight of 349.11 g/mol. Its IUPAC name is 4-(2,5-dibromophenyl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-(2,5-dibromophenyl)-N-propylbutan-1-amine
PubChem CID65305623
Molecular FormulaC13H19Br2N
Molecular Weight349.11 g/mol
Exact Mass346.99
IUPAC Name4-(2,5-dibromophenyl)-N-propylbutan-1-amine
SMILESCCCNCCCCc1cc(Br)ccc1Br
InChIInChI=1S/C13H19Br2N/c1-2-8-16-9-4-3-5-11-10-12(14)6-7-13(11)15/h6-7,10,16H,2-5,8-9H2,1H3
InChIKeyVYAPNCJZVBNRKF-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.11
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2,5-dibromophenyl)-N-propylpentan-1-amine
CID 65300495
6-(2,5-dibromophenyl)hexan-1-amine
CID 65301155
5-(2,5-dibromophenyl)pentan-1-amine
CID 65301153
1,4-dibromo-2-[8-[8-(2,5-dibromophenyl)octylsulfanyl]octyl]benzene
CID 141099500
N-[(5-bromo-2-methylphenyl)methyl]propan-1-amine
CID 65307998
N'-[(2,5-dibromophenyl)methyl]-N-methylpropane-1,3-diamine
CID 114369384
6-(4-bromo-5-chloro-2-fluorophenyl)-N-propylhexan-1-amine
CID 105400378
5-(2,5-dibromophenyl)-N-ethyl-3,3-dimethylpentan-1-amine
CID 65304999
N'-[2-(5-bromo-2-methylphenyl)ethyl]-N-methylbutane-1,4-diamine
CID 115202149
4-bromo-2-butylaniline
CID 23053370
N'-[(4-bromo-2-methoxyphenyl)methyl]-N-propylpropane-1,3-diamine
CID 113410224
4-(3-bromo-5-fluorophenyl)-N-propylbutan-1-amine
CID 79709608

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dibromophenyl)-N-propylbutan-1-amine?
The IUPAC name of 4-(2,5-dibromophenyl)-N-propylbutan-1-amine (CID 65305623) is 4-(2,5-dibromophenyl)-N-propylbutan-1-amine.
What is the SMILES notation for 4-(2,5-dibromophenyl)-N-propylbutan-1-amine?
The canonical SMILES for 4-(2,5-dibromophenyl)-N-propylbutan-1-amine is CCCNCCCCc1cc(Br)ccc1Br.
What is the InChIKey of 4-(2,5-dibromophenyl)-N-propylbutan-1-amine?
The InChIKey is VYAPNCJZVBNRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Br2N/c1-2-8-16-9-4-3-5-11-10-12(14)6-7-13(11)15/h6-7,10,16H,2-5,8-9H2,1H3.
What are the key properties of 4-(2,5-dibromophenyl)-N-propylbutan-1-amine?
4-(2,5-dibromophenyl)-N-propylbutan-1-amine has a molecular weight of 349.11 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dibromophenyl)-N-propylbutan-1-amine is sourced from PubChem (CID 65305623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).