4-(2-bromoprop-2-enyl)-N,N-dimethylaniline

C11H14BrN — CID 24721880

IUPAC4-(2-bromoprop-2-enyl)-N,N-dimethylaniline
SMILESC=C(Br)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C11H14BrN/c1-9(12)8-10-4-6-11(7-5-10)13(2)3/h4-7H,1,8H2,2-3H3
InChIKeyAEINQZSLQJIEFP-UHFFFAOYSA-N
MW240.14 g/mol
LogP3.20
Rot. Bonds3

About 4-(2-bromoprop-2-enyl)-N,N-dimethylaniline

4-(2-bromoprop-2-enyl)-N,N-dimethylaniline (PubChem CID 24721880) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 4-(2-bromoprop-2-enyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(2-bromoprop-2-enyl)-N,N-dimethylaniline
PubChem CID24721880
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name4-(2-bromoprop-2-enyl)-N,N-dimethylaniline
SMILESC=C(Br)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C11H14BrN/c1-9(12)8-10-4-6-11(7-5-10)13(2)3/h4-7H,1,8H2,2-3H3
InChIKeyAEINQZSLQJIEFP-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 4-(2-bromoprop-2-enyl)-N,N-dimethylaniline 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

2-[[4-(dimethylamino)phenyl]methyl]prop-2-enal
CID 118953189
1-(2-bromoprop-2-enyl)-4-tert-butylbenzene
CID 2756861
4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
CID 7567
N-(2-bromoprop-2-enyl)-3-[4-(dimethylamino)phenyl]propanamide
CID 113227520
2-[4-[4-(dimethylamino)phenyl]phenyl]acetic acid
CID 39226143
[4-(dimethylamino)phenyl]methyl-λ2-stannane
CID 174712145
2-chloro-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 9295463
4-[(2-chloroprop-2-enylamino)methyl]-N,N-dimethylaniline
CID 115574896
4-(2-amino-2-methylpropyl)-N,N-dimethylaniline
CID 3043620
4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N,N-dimethylaniline
CID 3817840
2-hydroxyethyl 2-[4-(dimethylamino)phenyl]acetate
CID 139785604
N-[4-(dimethylamino)phenyl]-N-oxidohydroxylamine
CID 163142986

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoprop-2-enyl)-N,N-dimethylaniline?
The IUPAC name of 4-(2-bromoprop-2-enyl)-N,N-dimethylaniline (CID 24721880) is 4-(2-bromoprop-2-enyl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(2-bromoprop-2-enyl)-N,N-dimethylaniline?
The canonical SMILES for 4-(2-bromoprop-2-enyl)-N,N-dimethylaniline is C=C(Br)Cc1ccc(N(C)C)cc1.
What is the InChIKey of 4-(2-bromoprop-2-enyl)-N,N-dimethylaniline?
The InChIKey is AEINQZSLQJIEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN/c1-9(12)8-10-4-6-11(7-5-10)13(2)3/h4-7H,1,8H2,2-3H3.
What are the key properties of 4-(2-bromoprop-2-enyl)-N,N-dimethylaniline?
4-(2-bromoprop-2-enyl)-N,N-dimethylaniline has a molecular weight of 240.14 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoprop-2-enyl)-N,N-dimethylaniline is sourced from PubChem (CID 24721880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).