N-[2-(2-bromophenyl)ethyl]-2-methylpropan-1-imine

C12H16BrN — CID 11118598

IUPACN-[2-(2-bromophenyl)ethyl]-2-methylpropan-1-imine
SMILESCC(C)/C=N/CCc1ccccc1Br
InChIInChI=1S/C12H16BrN/c1-10(2)9-14-8-7-11-5-3-4-6-12(11)13/h3-6,9-10H,7-8H2,1-2H3/b14-9+
InChIKeyCDMLPRRBDWSYPA-NTEUORMPSA-N
MW254.17 g/mol
LogP3.72
Rot. Bonds4

About N-[2-(2-bromophenyl)ethyl]-2-methylpropan-1-imine

N-[2-(2-bromophenyl)ethyl]-2-methylpropan-1-imine (PubChem CID 11118598) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)ethyl]-2-methylpropan-1-imine.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)ethyl]-2-methylpropan-1-imine
PubChem CID11118598
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC NameN-[2-(2-bromophenyl)ethyl]-2-methylpropan-1-imine
SMILESCC(C)/C=N/CCc1ccccc1Br
InChIInChI=1S/C12H16BrN/c1-10(2)9-14-8-7-11-5-3-4-6-12(11)13/h3-6,9-10H,7-8H2,1-2H3/b14-9+
InChIKeyCDMLPRRBDWSYPA-NTEUORMPSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 91691606
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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)ethyl]-2-methylpropan-1-imine?
The IUPAC name of N-[2-(2-bromophenyl)ethyl]-2-methylpropan-1-imine (CID 11118598) is N-[2-(2-bromophenyl)ethyl]-2-methylpropan-1-imine.
What is the SMILES notation for N-[2-(2-bromophenyl)ethyl]-2-methylpropan-1-imine?
The canonical SMILES for N-[2-(2-bromophenyl)ethyl]-2-methylpropan-1-imine is CC(C)/C=N/CCc1ccccc1Br.
What is the InChIKey of N-[2-(2-bromophenyl)ethyl]-2-methylpropan-1-imine?
The InChIKey is CDMLPRRBDWSYPA-NTEUORMPSA-N. The full InChI is InChI=1S/C12H16BrN/c1-10(2)9-14-8-7-11-5-3-4-6-12(11)13/h3-6,9-10H,7-8H2,1-2H3/b14-9+.
What are the key properties of N-[2-(2-bromophenyl)ethyl]-2-methylpropan-1-imine?
N-[2-(2-bromophenyl)ethyl]-2-methylpropan-1-imine has a molecular weight of 254.17 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenyl)ethyl]-2-methylpropan-1-imine is sourced from PubChem (CID 11118598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).