N-[(2,3-dichlorophenyl)methyl]-3,5-dimethyladamantan-1-amine

C19H25Cl2N — CID 4719250

IUPACN-[(2,3-dichlorophenyl)methyl]-3,5-dimethyladamantan-1-amine
SMILESCC12CC3CC(C)(C1)CC(NCc1cccc(Cl)c1Cl)(C3)C2
InChIInChI=1S/C19H25Cl2N/c1-17-6-13-7-18(2,10-17)12-19(8-13,11-17)22-9-14-4-3-5-15(20)16(14)21/h3-5,13,22H,6-12H2,1-2H3
InChIKeyFIVUKKUNSMGTEM-UHFFFAOYSA-N
MW338.32 g/mol
LogP5.83
Rot. Bonds3

About N-[(2,3-dichlorophenyl)methyl]-3,5-dimethyladamantan-1-amine

N-[(2,3-dichlorophenyl)methyl]-3,5-dimethyladamantan-1-amine (PubChem CID 4719250) has the molecular formula C19H25Cl2N and a molecular weight of 338.32 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-3,5-dimethyladamantan-1-amine.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-3,5-dimethyladamantan-1-amine
PubChem CID4719250
Molecular FormulaC19H25Cl2N
Molecular Weight338.32 g/mol
Exact Mass337.14
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-3,5-dimethyladamantan-1-amine
SMILESCC12CC3CC(C)(C1)CC(NCc1cccc(Cl)c1Cl)(C3)C2
InChIInChI=1S/C19H25Cl2N/c1-17-6-13-7-18(2,10-17)12-19(8-13,11-17)22-9-14-4-3-5-15(20)16(14)21/h3-5,13,22H,6-12H2,1-2H3
InChIKeyFIVUKKUNSMGTEM-UHFFFAOYSA-N
XLogP5.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.32
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(2,3-dichlorophenyl)methyl]-3,5-dimethyladamantan-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-[(2,3-dichlorophenyl)methyl]-3,5-dimethyladamantan-1-amine?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-3,5-dimethyladamantan-1-amine (CID 4719250) is N-[(2,3-dichlorophenyl)methyl]-3,5-dimethyladamantan-1-amine.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-3,5-dimethyladamantan-1-amine?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-3,5-dimethyladamantan-1-amine is CC12CC3CC(C)(C1)CC(NCc1cccc(Cl)c1Cl)(C3)C2.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-3,5-dimethyladamantan-1-amine?
The InChIKey is FIVUKKUNSMGTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25Cl2N/c1-17-6-13-7-18(2,10-17)12-19(8-13,11-17)22-9-14-4-3-5-15(20)16(14)21/h3-5,13,22H,6-12H2,1-2H3.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-3,5-dimethyladamantan-1-amine?
N-[(2,3-dichlorophenyl)methyl]-3,5-dimethyladamantan-1-amine has a molecular weight of 338.32 g/mol, XLogP of 5.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-3,5-dimethyladamantan-1-amine is sourced from PubChem (CID 4719250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).