3-(3-bromoprop-1-enyl)-N,N-dimethylaniline

C11H14BrN — CID 169475509

IUPAC3-(3-bromoprop-1-enyl)-N,N-dimethylaniline
SMILESCN(C)c1cccc(C=CCBr)c1
InChIInChI=1S/C11H14BrN/c1-13(2)11-7-3-5-10(9-11)6-4-8-12/h3-7,9H,8H2,1-2H3
InChIKeyBQCNOBGMUKQRPC-UHFFFAOYSA-N
MW240.14 g/mol
LogP3.16
Rot. Bonds3

About 3-(3-bromoprop-1-enyl)-N,N-dimethylaniline

3-(3-bromoprop-1-enyl)-N,N-dimethylaniline (PubChem CID 169475509) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 3-(3-bromoprop-1-enyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name3-(3-bromoprop-1-enyl)-N,N-dimethylaniline
PubChem CID169475509
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name3-(3-bromoprop-1-enyl)-N,N-dimethylaniline
SMILESCN(C)c1cccc(C=CCBr)c1
InChIInChI=1S/C11H14BrN/c1-13(2)11-7-3-5-10(9-11)6-4-8-12/h3-7,9H,8H2,1-2H3
InChIKeyBQCNOBGMUKQRPC-UHFFFAOYSA-N
XLogP3.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromoprop-1-enyl)-N,N-dimethylaniline?
The IUPAC name of 3-(3-bromoprop-1-enyl)-N,N-dimethylaniline (CID 169475509) is 3-(3-bromoprop-1-enyl)-N,N-dimethylaniline.
What is the SMILES notation for 3-(3-bromoprop-1-enyl)-N,N-dimethylaniline?
The canonical SMILES for 3-(3-bromoprop-1-enyl)-N,N-dimethylaniline is CN(C)c1cccc(C=CCBr)c1.
What is the InChIKey of 3-(3-bromoprop-1-enyl)-N,N-dimethylaniline?
The InChIKey is BQCNOBGMUKQRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN/c1-13(2)11-7-3-5-10(9-11)6-4-8-12/h3-7,9H,8H2,1-2H3.
What are the key properties of 3-(3-bromoprop-1-enyl)-N,N-dimethylaniline?
3-(3-bromoprop-1-enyl)-N,N-dimethylaniline has a molecular weight of 240.14 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromoprop-1-enyl)-N,N-dimethylaniline is sourced from PubChem (CID 169475509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).