azane;1-cyclopropyl-2-(dichloromethyl)benzene

C10H13Cl2N — CID 175153933

IUPACazane;1-cyclopropyl-2-(dichloromethyl)benzene
SMILESClC(Cl)c1ccccc1C1CC1.N
InChIInChI=1S/C10H10Cl2.H3N/c11-10(12)9-4-2-1-3-8(9)7-5-6-7;/h1-4,7,10H,5-6H2;1H3
InChIKeyXDIXEZSVNKOGIV-UHFFFAOYSA-N
MW218.13 g/mol
LogP4.20
Rot. Bonds2

About azane;1-cyclopropyl-2-(dichloromethyl)benzene

azane;1-cyclopropyl-2-(dichloromethyl)benzene (PubChem CID 175153933) has the molecular formula C10H13Cl2N and a molecular weight of 218.13 g/mol. Its IUPAC name is azane;1-cyclopropyl-2-(dichloromethyl)benzene.

Molecular Properties

Compound Nameazane;1-cyclopropyl-2-(dichloromethyl)benzene
PubChem CID175153933
Molecular FormulaC10H13Cl2N
Molecular Weight218.13 g/mol
Exact Mass217.04
IUPAC Nameazane;1-cyclopropyl-2-(dichloromethyl)benzene
SMILESClC(Cl)c1ccccc1C1CC1.N
InChIInChI=1S/C10H10Cl2.H3N/c11-10(12)9-4-2-1-3-8(9)7-5-6-7;/h1-4,7,10H,5-6H2;1H3
InChIKeyXDIXEZSVNKOGIV-UHFFFAOYSA-N
XLogP4.20
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.13
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze azane;1-cyclopropyl-2-(dichloromethyl)benzene 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 azane;1-cyclopropyl-2-(dichloromethyl)benzene?
The IUPAC name of azane;1-cyclopropyl-2-(dichloromethyl)benzene (CID 175153933) is azane;1-cyclopropyl-2-(dichloromethyl)benzene.
What is the SMILES notation for azane;1-cyclopropyl-2-(dichloromethyl)benzene?
The canonical SMILES for azane;1-cyclopropyl-2-(dichloromethyl)benzene is ClC(Cl)c1ccccc1C1CC1.N.
What is the InChIKey of azane;1-cyclopropyl-2-(dichloromethyl)benzene?
The InChIKey is XDIXEZSVNKOGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2.H3N/c11-10(12)9-4-2-1-3-8(9)7-5-6-7;/h1-4,7,10H,5-6H2;1H3.
What are the key properties of azane;1-cyclopropyl-2-(dichloromethyl)benzene?
azane;1-cyclopropyl-2-(dichloromethyl)benzene has a molecular weight of 218.13 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-cyclopropyl-2-(dichloromethyl)benzene is sourced from PubChem (CID 175153933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).