1-(4-bromophenyl)-N-butylethanimine

C12H16BrN — CID 15271392

IUPAC1-(4-bromophenyl)-N-butylethanimine
SMILESCCCC/N=C(\C)c1ccc(Br)cc1
InChIInChI=1S/C12H16BrN/c1-3-4-9-14-10(2)11-5-7-12(13)8-6-11/h5-8H,3-4,9H2,1-2H3/b14-10+
InChIKeyKMFOTUIIURIRFP-GXDHUFHOSA-N
MW254.17 g/mol
LogP4.06
Rot. Bonds4

About 1-(4-bromophenyl)-N-butylethanimine

1-(4-bromophenyl)-N-butylethanimine (PubChem CID 15271392) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-butylethanimine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-butylethanimine
PubChem CID15271392
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name1-(4-bromophenyl)-N-butylethanimine
SMILESCCCC/N=C(\C)c1ccc(Br)cc1
InChIInChI=1S/C12H16BrN/c1-3-4-9-14-10(2)11-5-7-12(13)8-6-11/h5-8H,3-4,9H2,1-2H3/b14-10+
InChIKeyKMFOTUIIURIRFP-GXDHUFHOSA-N
XLogP4.06
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-butylethanimine?
The IUPAC name of 1-(4-bromophenyl)-N-butylethanimine (CID 15271392) is 1-(4-bromophenyl)-N-butylethanimine.
What is the SMILES notation for 1-(4-bromophenyl)-N-butylethanimine?
The canonical SMILES for 1-(4-bromophenyl)-N-butylethanimine is CCCC/N=C(\C)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-butylethanimine?
The InChIKey is KMFOTUIIURIRFP-GXDHUFHOSA-N. The full InChI is InChI=1S/C12H16BrN/c1-3-4-9-14-10(2)11-5-7-12(13)8-6-11/h5-8H,3-4,9H2,1-2H3/b14-10+.
What are the key properties of 1-(4-bromophenyl)-N-butylethanimine?
1-(4-bromophenyl)-N-butylethanimine has a molecular weight of 254.17 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-butylethanimine is sourced from PubChem (CID 15271392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).