3-[4-(chloromethyl)phenyl]-N-methylprop-2-en-1-amine

C11H14ClN — CID 169473141

IUPAC3-[4-(chloromethyl)phenyl]-N-methylprop-2-en-1-amine
SMILESCNCC=Cc1ccc(CCl)cc1
InChIInChI=1S/C11H14ClN/c1-13-8-2-3-10-4-6-11(9-12)7-5-10/h2-7,13H,8-9H2,1H3
InChIKeyWAIIXYJOOITCFZ-UHFFFAOYSA-N
MW195.69 g/mol
LogP2.66
Rot. Bonds4

About 3-[4-(chloromethyl)phenyl]-N-methylprop-2-en-1-amine

3-[4-(chloromethyl)phenyl]-N-methylprop-2-en-1-amine (PubChem CID 169473141) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is 3-[4-(chloromethyl)phenyl]-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name3-[4-(chloromethyl)phenyl]-N-methylprop-2-en-1-amine
PubChem CID169473141
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name3-[4-(chloromethyl)phenyl]-N-methylprop-2-en-1-amine
SMILESCNCC=Cc1ccc(CCl)cc1
InChIInChI=1S/C11H14ClN/c1-13-8-2-3-10-4-6-11(9-12)7-5-10/h2-7,13H,8-9H2,1H3
InChIKeyWAIIXYJOOITCFZ-UHFFFAOYSA-N
XLogP2.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[4-(chloromethyl)phenyl]-N-methylprop-2-en-1-amine 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 3-[4-(chloromethyl)phenyl]-N-methylprop-2-en-1-amine?
The IUPAC name of 3-[4-(chloromethyl)phenyl]-N-methylprop-2-en-1-amine (CID 169473141) is 3-[4-(chloromethyl)phenyl]-N-methylprop-2-en-1-amine.
What is the SMILES notation for 3-[4-(chloromethyl)phenyl]-N-methylprop-2-en-1-amine?
The canonical SMILES for 3-[4-(chloromethyl)phenyl]-N-methylprop-2-en-1-amine is CNCC=Cc1ccc(CCl)cc1.
What is the InChIKey of 3-[4-(chloromethyl)phenyl]-N-methylprop-2-en-1-amine?
The InChIKey is WAIIXYJOOITCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN/c1-13-8-2-3-10-4-6-11(9-12)7-5-10/h2-7,13H,8-9H2,1H3.
What are the key properties of 3-[4-(chloromethyl)phenyl]-N-methylprop-2-en-1-amine?
3-[4-(chloromethyl)phenyl]-N-methylprop-2-en-1-amine has a molecular weight of 195.69 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(chloromethyl)phenyl]-N-methylprop-2-en-1-amine is sourced from PubChem (CID 169473141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).