3-bromo-N-[(E)-3-chloroprop-2-enyl]-N-methylaniline

C10H11BrClN — CID 131231741

IUPAC3-bromo-N-[(E)-3-chloroprop-2-enyl]-N-methylaniline
SMILESCN(C/C=C/Cl)c1cccc(Br)c1
InChIInChI=1S/C10H11BrClN/c1-13(7-3-6-12)10-5-2-4-9(11)8-10/h2-6,8H,7H2,1H3/b6-3+
InChIKeyRBITVCZSGLFWSW-ZZXKWVIFSA-N
MW260.56 g/mol
LogP3.64
Rot. Bonds3

About 3-bromo-N-[(E)-3-chloroprop-2-enyl]-N-methylaniline

3-bromo-N-[(E)-3-chloroprop-2-enyl]-N-methylaniline (PubChem CID 131231741) has the molecular formula C10H11BrClN and a molecular weight of 260.56 g/mol. Its IUPAC name is 3-bromo-N-[(E)-3-chloroprop-2-enyl]-N-methylaniline.

Molecular Properties

Compound Name3-bromo-N-[(E)-3-chloroprop-2-enyl]-N-methylaniline
PubChem CID131231741
Molecular FormulaC10H11BrClN
Molecular Weight260.56 g/mol
Exact Mass258.98
IUPAC Name3-bromo-N-[(E)-3-chloroprop-2-enyl]-N-methylaniline
SMILESCN(C/C=C/Cl)c1cccc(Br)c1
InChIInChI=1S/C10H11BrClN/c1-13(7-3-6-12)10-5-2-4-9(11)8-10/h2-6,8H,7H2,1H3/b6-3+
InChIKeyRBITVCZSGLFWSW-ZZXKWVIFSA-N
XLogP3.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.56
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-bromo-N-[(E)-3-chloroprop-2-enyl]-N-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-bromo-N-(2-chloroethyl)-N-methylaniline
CID 82119005
(E)-N-[(3-bromophenyl)methyl]-3-chloro-N-ethylprop-2-en-1-amine
CID 15290085
N-[[4-(aminomethyl)phenyl]methyl]-3-bromo-N-methylaniline
CID 115213189
magnesium;3-bromo-N,N-dimethylaniline;hydride
CID 173417698
1-N-(3-bromophenyl)-1-N-methylpentane-1,4-diamine
CID 115203761
5-(3-bromo-N-methylanilino)pentanoic acid
CID 115218995
N-[(3-bromophenyl)methyl]-N,3-dimethylaniline
CID 55193940
N-[(E)-3-chloroprop-2-enyl]-2-iodo-N-methylaniline
CID 131231742
2-[(3-bromo-N-methylanilino)methyl]butanoic acid
CID 115249853
3-N-(3-bromophenyl)-3-N,3-dimethylbutane-1,3-diamine
CID 115134633
3-bromo-N-iodo-N-phenylaniline
CID 143818011
N-(3-bromophenyl)-N-methylcarbamoyl bromide
CID 115193496

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(E)-3-chloroprop-2-enyl]-N-methylaniline?
The IUPAC name of 3-bromo-N-[(E)-3-chloroprop-2-enyl]-N-methylaniline (CID 131231741) is 3-bromo-N-[(E)-3-chloroprop-2-enyl]-N-methylaniline.
What is the SMILES notation for 3-bromo-N-[(E)-3-chloroprop-2-enyl]-N-methylaniline?
The canonical SMILES for 3-bromo-N-[(E)-3-chloroprop-2-enyl]-N-methylaniline is CN(C/C=C/Cl)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[(E)-3-chloroprop-2-enyl]-N-methylaniline?
The InChIKey is RBITVCZSGLFWSW-ZZXKWVIFSA-N. The full InChI is InChI=1S/C10H11BrClN/c1-13(7-3-6-12)10-5-2-4-9(11)8-10/h2-6,8H,7H2,1H3/b6-3+.
What are the key properties of 3-bromo-N-[(E)-3-chloroprop-2-enyl]-N-methylaniline?
3-bromo-N-[(E)-3-chloroprop-2-enyl]-N-methylaniline has a molecular weight of 260.56 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(E)-3-chloroprop-2-enyl]-N-methylaniline is sourced from PubChem (CID 131231741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).