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

C16H19ClFN — CID 12037667

IUPAC5-chloro-N-(4-fluorophenyl)adamantan-2-amine
SMILESFc1ccc(NC2C3CC4CC2CC(Cl)(C4)C3)cc1
InChIInChI=1S/C16H19ClFN/c17-16-7-10-5-11(8-16)15(12(6-10)9-16)19-14-3-1-13(18)2-4-14/h1-4,10-12,15,19H,5-9H2
InChIKeyPHEAZHWQEOKDKM-UHFFFAOYSA-N
MW279.79 g/mol
LogP4.42
Rot. Bonds2

About 5-chloro-N-(4-fluorophenyl)adamantan-2-amine

5-chloro-N-(4-fluorophenyl)adamantan-2-amine (PubChem CID 12037667) has the molecular formula C16H19ClFN and a molecular weight of 279.79 g/mol. Its IUPAC name is 5-chloro-N-(4-fluorophenyl)adamantan-2-amine.

Molecular Properties

Compound Name5-chloro-N-(4-fluorophenyl)adamantan-2-amine
PubChem CID12037667
Molecular FormulaC16H19ClFN
Molecular Weight279.79 g/mol
Exact Mass279.12
IUPAC Name5-chloro-N-(4-fluorophenyl)adamantan-2-amine
SMILESFc1ccc(NC2C3CC4CC2CC(Cl)(C4)C3)cc1
InChIInChI=1S/C16H19ClFN/c17-16-7-10-5-11(8-16)15(12(6-10)9-16)19-14-3-1-13(18)2-4-14/h1-4,10-12,15,19H,5-9H2
InChIKeyPHEAZHWQEOKDKM-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1-adamantylmethyl)-2-ethylaniline;hydrochloride
CID 137632482
N-(1-adamantylmethyl)-3,5-difluoroaniline;hydrochloride
CID 137658559
Aniline, N-(2-adamantyl)-
CID 40580
N-[4-(dimethylamino)benzyl]-2-adamantanamine hydrochloride
CID 2941255
N-(1-adamantylmethyl)-2-(trifluoromethyl)aniline;hydrochloride
CID 137644356
N-(1-adamantylmethyl)-4-fluoroaniline
CID 4913128
N-(4-fluorophenyl)adamantan-1-amine
CID 84100824
N-(3-fluorophenyl)adamantan-1-amine
CID 84100825
N-[2-(adamantan-2-yl)propyl]-4-fluoroaniline
CID 132275923
N-(adamantan-2-ylmethyl)-4-fluoroaniline
CID 132276069
N-[1-(adamantan-1-yl)butan-2-yl]-4-(trifluoro-methyl)aniline
CID 132276139
N-[2-(adamantan-2-yl)butyl]-4-fluoroaniline
CID 132276148

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-fluorophenyl)adamantan-2-amine?
The IUPAC name of 5-chloro-N-(4-fluorophenyl)adamantan-2-amine (CID 12037667) is 5-chloro-N-(4-fluorophenyl)adamantan-2-amine.
What is the SMILES notation for 5-chloro-N-(4-fluorophenyl)adamantan-2-amine?
The canonical SMILES for 5-chloro-N-(4-fluorophenyl)adamantan-2-amine is Fc1ccc(NC2C3CC4CC2CC(Cl)(C4)C3)cc1.
What is the InChIKey of 5-chloro-N-(4-fluorophenyl)adamantan-2-amine?
The InChIKey is PHEAZHWQEOKDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN/c17-16-7-10-5-11(8-16)15(12(6-10)9-16)19-14-3-1-13(18)2-4-14/h1-4,10-12,15,19H,5-9H2.
What are the key properties of 5-chloro-N-(4-fluorophenyl)adamantan-2-amine?
5-chloro-N-(4-fluorophenyl)adamantan-2-amine has a molecular weight of 279.79 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-fluorophenyl)adamantan-2-amine is sourced from PubChem (CID 12037667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).