N-[2-(chloromethyl)prop-2-enyl]-N,3,5-trimethylaniline

C13H18ClN — CID 103067794

IUPACN-[2-(chloromethyl)prop-2-enyl]-N,3,5-trimethylaniline
SMILESC=C(CCl)CN(C)c1cc(C)cc(C)c1
InChIInChI=1S/C13H18ClN/c1-10-5-11(2)7-13(6-10)15(4)9-12(3)8-14/h5-7H,3,8-9H2,1-2,4H3
InChIKeyCGDXPFFKUHMCGE-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.53
Rot. Bonds4

About N-[2-(chloromethyl)prop-2-enyl]-N,3,5-trimethylaniline

N-[2-(chloromethyl)prop-2-enyl]-N,3,5-trimethylaniline (PubChem CID 103067794) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is N-[2-(chloromethyl)prop-2-enyl]-N,3,5-trimethylaniline.

Molecular Properties

Compound NameN-[2-(chloromethyl)prop-2-enyl]-N,3,5-trimethylaniline
PubChem CID103067794
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC NameN-[2-(chloromethyl)prop-2-enyl]-N,3,5-trimethylaniline
SMILESC=C(CCl)CN(C)c1cc(C)cc(C)c1
InChIInChI=1S/C13H18ClN/c1-10-5-11(2)7-13(6-10)15(4)9-12(3)8-14/h5-7H,3,8-9H2,1-2,4H3
InChIKeyCGDXPFFKUHMCGE-UHFFFAOYSA-N
XLogP3.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[2-(chloromethyl)prop-2-enyl]-N,3,5-trimethylaniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)prop-2-enyl]-N,3,5-trimethylaniline?
The IUPAC name of N-[2-(chloromethyl)prop-2-enyl]-N,3,5-trimethylaniline (CID 103067794) is N-[2-(chloromethyl)prop-2-enyl]-N,3,5-trimethylaniline.
What is the SMILES notation for N-[2-(chloromethyl)prop-2-enyl]-N,3,5-trimethylaniline?
The canonical SMILES for N-[2-(chloromethyl)prop-2-enyl]-N,3,5-trimethylaniline is C=C(CCl)CN(C)c1cc(C)cc(C)c1.
What is the InChIKey of N-[2-(chloromethyl)prop-2-enyl]-N,3,5-trimethylaniline?
The InChIKey is CGDXPFFKUHMCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c1-10-5-11(2)7-13(6-10)15(4)9-12(3)8-14/h5-7H,3,8-9H2,1-2,4H3.
What are the key properties of N-[2-(chloromethyl)prop-2-enyl]-N,3,5-trimethylaniline?
N-[2-(chloromethyl)prop-2-enyl]-N,3,5-trimethylaniline has a molecular weight of 223.75 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)prop-2-enyl]-N,3,5-trimethylaniline is sourced from PubChem (CID 103067794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).