N,N-bis(2-bromoprop-2-enyl)-4-methylaniline

C13H15Br2N — CID 11313957

IUPACN,N-bis(2-bromoprop-2-enyl)-4-methylaniline
SMILESC=C(Br)CN(CC(=C)Br)c1ccc(C)cc1
InChIInChI=1S/C13H15Br2N/c1-10-4-6-13(7-5-10)16(8-11(2)14)9-12(3)15/h4-7H,2-3,8-9H2,1H3
InChIKeyPZENYCYWBPOBMU-UHFFFAOYSA-N
MW345.08 g/mol
LogP4.62
Rot. Bonds5

About N,N-bis(2-bromoprop-2-enyl)-4-methylaniline

N,N-bis(2-bromoprop-2-enyl)-4-methylaniline (PubChem CID 11313957) has the molecular formula C13H15Br2N and a molecular weight of 345.08 g/mol. Its IUPAC name is N,N-bis(2-bromoprop-2-enyl)-4-methylaniline.

Molecular Properties

Compound NameN,N-bis(2-bromoprop-2-enyl)-4-methylaniline
PubChem CID11313957
Molecular FormulaC13H15Br2N
Molecular Weight345.08 g/mol
Exact Mass342.96
IUPAC NameN,N-bis(2-bromoprop-2-enyl)-4-methylaniline
SMILESC=C(Br)CN(CC(=C)Br)c1ccc(C)cc1
InChIInChI=1S/C13H15Br2N/c1-10-4-6-13(7-5-10)16(8-11(2)14)9-12(3)15/h4-7H,2-3,8-9H2,1H3
InChIKeyPZENYCYWBPOBMU-UHFFFAOYSA-N
XLogP4.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.08
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-bromoprop-2-enyl)-4-methylaniline?
The IUPAC name of N,N-bis(2-bromoprop-2-enyl)-4-methylaniline (CID 11313957) is N,N-bis(2-bromoprop-2-enyl)-4-methylaniline.
What is the SMILES notation for N,N-bis(2-bromoprop-2-enyl)-4-methylaniline?
The canonical SMILES for N,N-bis(2-bromoprop-2-enyl)-4-methylaniline is C=C(Br)CN(CC(=C)Br)c1ccc(C)cc1.
What is the InChIKey of N,N-bis(2-bromoprop-2-enyl)-4-methylaniline?
The InChIKey is PZENYCYWBPOBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2N/c1-10-4-6-13(7-5-10)16(8-11(2)14)9-12(3)15/h4-7H,2-3,8-9H2,1H3.
What are the key properties of N,N-bis(2-bromoprop-2-enyl)-4-methylaniline?
N,N-bis(2-bromoprop-2-enyl)-4-methylaniline has a molecular weight of 345.08 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-bromoprop-2-enyl)-4-methylaniline is sourced from PubChem (CID 11313957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).