N-(3,4-dichlorophenyl)adamantan-2-amine

C16H19Cl2N — CID 43621642

IUPACN-(3,4-dichlorophenyl)adamantan-2-amine
SMILESClc1ccc(NC2C3CC4CC(C3)CC2C4)cc1Cl
InChIInChI=1S/C16H19Cl2N/c17-14-2-1-13(8-15(14)18)19-16-11-4-9-3-10(6-11)7-12(16)5-9/h1-2,8-12,16,19H,3-7H2
InChIKeyZVKNBHZPVXKDOO-UHFFFAOYSA-N
MW296.24 g/mol
LogP5.23
Rot. Bonds2

About N-(3,4-dichlorophenyl)adamantan-2-amine

N-(3,4-dichlorophenyl)adamantan-2-amine (PubChem CID 43621642) has the molecular formula C16H19Cl2N and a molecular weight of 296.24 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)adamantan-2-amine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)adamantan-2-amine
PubChem CID43621642
Molecular FormulaC16H19Cl2N
Molecular Weight296.24 g/mol
Exact Mass295.09
IUPAC NameN-(3,4-dichlorophenyl)adamantan-2-amine
SMILESClc1ccc(NC2C3CC4CC(C3)CC2C4)cc1Cl
InChIInChI=1S/C16H19Cl2N/c17-14-2-1-13(8-15(14)18)19-16-11-4-9-3-10(6-11)7-12(16)5-9/h1-2,8-12,16,19H,3-7H2
InChIKeyZVKNBHZPVXKDOO-UHFFFAOYSA-N
XLogP5.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.24
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)adamantan-2-amine?
The IUPAC name of N-(3,4-dichlorophenyl)adamantan-2-amine (CID 43621642) is N-(3,4-dichlorophenyl)adamantan-2-amine.
What is the SMILES notation for N-(3,4-dichlorophenyl)adamantan-2-amine?
The canonical SMILES for N-(3,4-dichlorophenyl)adamantan-2-amine is Clc1ccc(NC2C3CC4CC(C3)CC2C4)cc1Cl.
What is the InChIKey of N-(3,4-dichlorophenyl)adamantan-2-amine?
The InChIKey is ZVKNBHZPVXKDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N/c17-14-2-1-13(8-15(14)18)19-16-11-4-9-3-10(6-11)7-12(16)5-9/h1-2,8-12,16,19H,3-7H2.
What are the key properties of N-(3,4-dichlorophenyl)adamantan-2-amine?
N-(3,4-dichlorophenyl)adamantan-2-amine has a molecular weight of 296.24 g/mol, XLogP of 5.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)adamantan-2-amine is sourced from PubChem (CID 43621642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).