1-(4-bromophenyl)butan-1-amine

C10H14BrN — CID 19981018

IUPAC1-(4-bromophenyl)butan-1-amine
SMILESCCCC(N)c1ccc(Br)cc1
InChIInChI=1S/C10H14BrN/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7,10H,2-3,12H2,1H3
InChIKeySTORZZRBHMOXOC-UHFFFAOYSA-N
MW228.13 g/mol
LogP3.25
Rot. Bonds3

About 1-(4-bromophenyl)butan-1-amine

1-(4-bromophenyl)butan-1-amine (PubChem CID 19981018) has the molecular formula C10H14BrN and a molecular weight of 228.13 g/mol. Its IUPAC name is 1-(4-bromophenyl)butan-1-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)butan-1-amine
PubChem CID19981018
Molecular FormulaC10H14BrN
Molecular Weight228.13 g/mol
Exact Mass227.03
IUPAC Name1-(4-bromophenyl)butan-1-amine
SMILESCCCC(N)c1ccc(Br)cc1
InChIInChI=1S/C10H14BrN/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7,10H,2-3,12H2,1H3
InChIKeySTORZZRBHMOXOC-UHFFFAOYSA-N
XLogP3.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.13
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)butan-1-amine?
The IUPAC name of 1-(4-bromophenyl)butan-1-amine (CID 19981018) is 1-(4-bromophenyl)butan-1-amine.
What is the SMILES notation for 1-(4-bromophenyl)butan-1-amine?
The canonical SMILES for 1-(4-bromophenyl)butan-1-amine is CCCC(N)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)butan-1-amine?
The InChIKey is STORZZRBHMOXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7,10H,2-3,12H2,1H3.
What are the key properties of 1-(4-bromophenyl)butan-1-amine?
1-(4-bromophenyl)butan-1-amine has a molecular weight of 228.13 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)butan-1-amine is sourced from PubChem (CID 19981018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).