N-[1-(4-chlorophenyl)ethyl]adamantan-2-amine

C18H24ClN — CID 43406773

IUPACN-[1-(4-chlorophenyl)ethyl]adamantan-2-amine
SMILESCC(NC1C2CC3CC(C2)CC1C3)c1ccc(Cl)cc1
InChIInChI=1S/C18H24ClN/c1-11(14-2-4-17(19)5-3-14)20-18-15-7-12-6-13(9-15)10-16(18)8-12/h2-5,11-13,15-16,18,20H,6-10H2,1H3
InChIKeyGPYKKJHURNTNIZ-UHFFFAOYSA-N
MW289.85 g/mol
LogP4.82
Rot. Bonds3

About N-[1-(4-chlorophenyl)ethyl]adamantan-2-amine

N-[1-(4-chlorophenyl)ethyl]adamantan-2-amine (PubChem CID 43406773) has the molecular formula C18H24ClN and a molecular weight of 289.85 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]adamantan-2-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]adamantan-2-amine
PubChem CID43406773
Molecular FormulaC18H24ClN
Molecular Weight289.85 g/mol
Exact Mass289.16
IUPAC NameN-[1-(4-chlorophenyl)ethyl]adamantan-2-amine
SMILESCC(NC1C2CC3CC(C2)CC1C3)c1ccc(Cl)cc1
InChIInChI=1S/C18H24ClN/c1-11(14-2-4-17(19)5-3-14)20-18-15-7-12-6-13(9-15)10-16(18)8-12/h2-5,11-13,15-16,18,20H,6-10H2,1H3
InChIKeyGPYKKJHURNTNIZ-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.85
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]adamantan-2-amine?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]adamantan-2-amine (CID 43406773) is N-[1-(4-chlorophenyl)ethyl]adamantan-2-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]adamantan-2-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]adamantan-2-amine is CC(NC1C2CC3CC(C2)CC1C3)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]adamantan-2-amine?
The InChIKey is GPYKKJHURNTNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN/c1-11(14-2-4-17(19)5-3-14)20-18-15-7-12-6-13(9-15)10-16(18)8-12/h2-5,11-13,15-16,18,20H,6-10H2,1H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]adamantan-2-amine?
N-[1-(4-chlorophenyl)ethyl]adamantan-2-amine has a molecular weight of 289.85 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]adamantan-2-amine is sourced from PubChem (CID 43406773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).