N-[(4-chlorophenyl)methyl]-N-methylprop-2-yn-1-amine

C11H12ClN — CID 60670247

IUPACN-[(4-chlorophenyl)methyl]-N-methylprop-2-yn-1-amine
SMILESC#CCN(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H12ClN/c1-3-8-13(2)9-10-4-6-11(12)7-5-10/h1,4-7H,8-9H2,2H3
InChIKeyBOVOUAAQVSTIKY-UHFFFAOYSA-N
MW193.68 g/mol
LogP2.40
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-N-methylprop-2-yn-1-amine

N-[(4-chlorophenyl)methyl]-N-methylprop-2-yn-1-amine (PubChem CID 60670247) has the molecular formula C11H12ClN and a molecular weight of 193.68 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-methylprop-2-yn-1-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-methylprop-2-yn-1-amine
PubChem CID60670247
Molecular FormulaC11H12ClN
Molecular Weight193.68 g/mol
Exact Mass193.07
IUPAC NameN-[(4-chlorophenyl)methyl]-N-methylprop-2-yn-1-amine
SMILESC#CCN(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H12ClN/c1-3-8-13(2)9-10-4-6-11(12)7-5-10/h1,4-7H,8-9H2,2H3
InChIKeyBOVOUAAQVSTIKY-UHFFFAOYSA-N
XLogP2.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.68
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(4-chlorophenyl)methyl]-N-methylprop-2-yn-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 N-[(4-chlorophenyl)methyl]-N-methylprop-2-yn-1-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-methylprop-2-yn-1-amine (CID 60670247) is N-[(4-chlorophenyl)methyl]-N-methylprop-2-yn-1-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-methylprop-2-yn-1-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-methylprop-2-yn-1-amine is C#CCN(C)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-methylprop-2-yn-1-amine?
The InChIKey is BOVOUAAQVSTIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN/c1-3-8-13(2)9-10-4-6-11(12)7-5-10/h1,4-7H,8-9H2,2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-methylprop-2-yn-1-amine?
N-[(4-chlorophenyl)methyl]-N-methylprop-2-yn-1-amine has a molecular weight of 193.68 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-methylprop-2-yn-1-amine is sourced from PubChem (CID 60670247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).