N-[[3-(3,5-dichlorophenyl)-2,2-dimethylcyclopropyl]methyl]cyclopropanamine

C15H19Cl2N — CID 114229708

IUPACN-[[3-(3,5-dichlorophenyl)-2,2-dimethylcyclopropyl]methyl]cyclopropanamine
SMILESCC1(C)C(CNC2CC2)C1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H19Cl2N/c1-15(2)13(8-18-12-3-4-12)14(15)9-5-10(16)7-11(17)6-9/h5-7,12-14,18H,3-4,8H2,1-2H3
InChIKeyTWCPXZLACZJRSA-UHFFFAOYSA-N
MW284.23 g/mol
LogP4.49
Rot. Bonds4

About N-[[3-(3,5-dichlorophenyl)-2,2-dimethylcyclopropyl]methyl]cyclopropanamine

N-[[3-(3,5-dichlorophenyl)-2,2-dimethylcyclopropyl]methyl]cyclopropanamine (PubChem CID 114229708) has the molecular formula C15H19Cl2N and a molecular weight of 284.23 g/mol. Its IUPAC name is N-[[3-(3,5-dichlorophenyl)-2,2-dimethylcyclopropyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(3,5-dichlorophenyl)-2,2-dimethylcyclopropyl]methyl]cyclopropanamine
PubChem CID114229708
Molecular FormulaC15H19Cl2N
Molecular Weight284.23 g/mol
Exact Mass283.09
IUPAC NameN-[[3-(3,5-dichlorophenyl)-2,2-dimethylcyclopropyl]methyl]cyclopropanamine
SMILESCC1(C)C(CNC2CC2)C1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H19Cl2N/c1-15(2)13(8-18-12-3-4-12)14(15)9-5-10(16)7-11(17)6-9/h5-7,12-14,18H,3-4,8H2,1-2H3
InChIKeyTWCPXZLACZJRSA-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[3-(3,5-dichlorophenyl)-2,2-dimethylcyclopropyl]methyl]cyclopropanamine 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-[[3-(3,5-dichlorophenyl)-2,2-dimethylcyclopropyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(3,5-dichlorophenyl)-2,2-dimethylcyclopropyl]methyl]cyclopropanamine (CID 114229708) is N-[[3-(3,5-dichlorophenyl)-2,2-dimethylcyclopropyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(3,5-dichlorophenyl)-2,2-dimethylcyclopropyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(3,5-dichlorophenyl)-2,2-dimethylcyclopropyl]methyl]cyclopropanamine is CC1(C)C(CNC2CC2)C1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[[3-(3,5-dichlorophenyl)-2,2-dimethylcyclopropyl]methyl]cyclopropanamine?
The InChIKey is TWCPXZLACZJRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N/c1-15(2)13(8-18-12-3-4-12)14(15)9-5-10(16)7-11(17)6-9/h5-7,12-14,18H,3-4,8H2,1-2H3.
What are the key properties of N-[[3-(3,5-dichlorophenyl)-2,2-dimethylcyclopropyl]methyl]cyclopropanamine?
N-[[3-(3,5-dichlorophenyl)-2,2-dimethylcyclopropyl]methyl]cyclopropanamine has a molecular weight of 284.23 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,5-dichlorophenyl)-2,2-dimethylcyclopropyl]methyl]cyclopropanamine is sourced from PubChem (CID 114229708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).