N-(3-chloro-4-fluorophenyl)adamantan-2-amine

C16H19ClFN — CID 43621686

IUPACN-(3-chloro-4-fluorophenyl)adamantan-2-amine
SMILESFc1ccc(NC2C3CC4CC(C3)CC2C4)cc1Cl
InChIInChI=1S/C16H19ClFN/c17-14-8-13(1-2-15(14)18)19-16-11-4-9-3-10(6-11)7-12(16)5-9/h1-2,8-12,16,19H,3-7H2
InChIKeyNCIVRLXNVXXJSI-UHFFFAOYSA-N
MW279.79 g/mol
LogP4.72
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)adamantan-2-amine

N-(3-chloro-4-fluorophenyl)adamantan-2-amine (PubChem CID 43621686) has the molecular formula C16H19ClFN and a molecular weight of 279.79 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)adamantan-2-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)adamantan-2-amine
PubChem CID43621686
Molecular FormulaC16H19ClFN
Molecular Weight279.79 g/mol
Exact Mass279.12
IUPAC NameN-(3-chloro-4-fluorophenyl)adamantan-2-amine
SMILESFc1ccc(NC2C3CC4CC(C3)CC2C4)cc1Cl
InChIInChI=1S/C16H19ClFN/c17-14-8-13(1-2-15(14)18)19-16-11-4-9-3-10(6-11)7-12(16)5-9/h1-2,8-12,16,19H,3-7H2
InChIKeyNCIVRLXNVXXJSI-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)adamantan-2-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)adamantan-2-amine (CID 43621686) is N-(3-chloro-4-fluorophenyl)adamantan-2-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)adamantan-2-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)adamantan-2-amine is Fc1ccc(NC2C3CC4CC(C3)CC2C4)cc1Cl.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)adamantan-2-amine?
The InChIKey is NCIVRLXNVXXJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN/c17-14-8-13(1-2-15(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-chloro-4-fluorophenyl)adamantan-2-amine?
N-(3-chloro-4-fluorophenyl)adamantan-2-amine has a molecular weight of 279.79 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)adamantan-2-amine is sourced from PubChem (CID 43621686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).