N-(3-chlorophenyl)adamantan-2-amine

C16H20ClN — CID 15323872

IUPACN-(3-chlorophenyl)adamantan-2-amine
SMILESClc1cccc(NC2C3CC4CC(C3)CC2C4)c1
InChIInChI=1S/C16H20ClN/c17-14-2-1-3-15(9-14)18-16-12-5-10-4-11(7-12)8-13(16)6-10/h1-3,9-13,16,18H,4-8H2
InChIKeyMTLHRPYOQVWDQK-UHFFFAOYSA-N
MW261.80 g/mol
LogP4.58
Rot. Bonds2

About N-(3-chlorophenyl)adamantan-2-amine

N-(3-chlorophenyl)adamantan-2-amine (PubChem CID 15323872) has the molecular formula C16H20ClN and a molecular weight of 261.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)adamantan-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)adamantan-2-amine
PubChem CID15323872
Molecular FormulaC16H20ClN
Molecular Weight261.80 g/mol
Exact Mass261.13
IUPAC NameN-(3-chlorophenyl)adamantan-2-amine
SMILESClc1cccc(NC2C3CC4CC(C3)CC2C4)c1
InChIInChI=1S/C16H20ClN/c17-14-2-1-3-15(9-14)18-16-12-5-10-4-11(7-12)8-13(16)6-10/h1-3,9-13,16,18H,4-8H2
InChIKeyMTLHRPYOQVWDQK-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.80
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)adamantan-2-amine?
The IUPAC name of N-(3-chlorophenyl)adamantan-2-amine (CID 15323872) is N-(3-chlorophenyl)adamantan-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)adamantan-2-amine?
The canonical SMILES for N-(3-chlorophenyl)adamantan-2-amine is Clc1cccc(NC2C3CC4CC(C3)CC2C4)c1.
What is the InChIKey of N-(3-chlorophenyl)adamantan-2-amine?
The InChIKey is MTLHRPYOQVWDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN/c17-14-2-1-3-15(9-14)18-16-12-5-10-4-11(7-12)8-13(16)6-10/h1-3,9-13,16,18H,4-8H2.
What are the key properties of N-(3-chlorophenyl)adamantan-2-amine?
N-(3-chlorophenyl)adamantan-2-amine has a molecular weight of 261.80 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)adamantan-2-amine is sourced from PubChem (CID 15323872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).