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'}

Analyze N,N-bis(2-bromoprop-2-enyl)-4-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[N-(2-bromoprop-2-enyl)-4-methylanilino]propanoic acid
CID 60872837
N-(2-bromoprop-2-enyl)-N,4-dimethylbenzenesulfonamide
CID 121219829
2-(4-methyl-N-[2-(4-methylanilino)-2-oxoethyl]anilino)-N-(4-methylphenyl)acetamide
CID 2645683
N-(2-bromoprop-2-enyl)-4-methyl-N-phenylbenzenesulfonamide
CID 102104553
2-[N-(2,2-dihydroxyethyl)-4-methylanilino]ethane-1,1-diol
CID 22255839
4-methyl-N,N-bis[(4-methylphenyl)methyl]aniline
CID 70930364
3-[N-(2-bromoprop-2-enyl)anilino]propanoic acid
CID 60873032
ethane;4-methyl-N,N-dipropylaniline
CID 143993396
2-(4-methyl-N-propylanilino)acetic acid
CID 19875097
N,N,N',N'-tetrakis(4-methylphenyl)propanediamide
CID 165110005
2-bromo-N-[(4-methylphenyl)methyl]prop-2-en-1-amine
CID 13430243
2-(N-(2-hydroxy-2-methylpropyl)-4-methylanilino)acetic acid
CID 60884016

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).