N-(5-bromo-2,4-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine

C16H18BrF2N — CID 102852658

IUPACN-(5-bromo-2,4-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESFc1cc(F)c(NC2CC3CC2C2CCCC32)cc1Br
InChIInChI=1S/C16H18BrF2N/c17-12-6-16(14(19)7-13(12)18)20-15-5-8-4-11(15)10-3-1-2-9(8)10/h6-11,15,20H,1-5H2
InChIKeyPOCDCMCQKIZDKW-UHFFFAOYSA-N
MW342.23 g/mol
LogP4.96
Rot. Bonds2

About N-(5-bromo-2,4-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine

N-(5-bromo-2,4-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 102852658) has the molecular formula C16H18BrF2N and a molecular weight of 342.23 g/mol. Its IUPAC name is N-(5-bromo-2,4-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound NameN-(5-bromo-2,4-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID102852658
Molecular FormulaC16H18BrF2N
Molecular Weight342.23 g/mol
Exact Mass341.06
IUPAC NameN-(5-bromo-2,4-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESFc1cc(F)c(NC2CC3CC2C2CCCC32)cc1Br
InChIInChI=1S/C16H18BrF2N/c17-12-6-16(14(19)7-13(12)18)20-15-5-8-4-11(15)10-3-1-2-9(8)10/h6-11,15,20H,1-5H2
InChIKeyPOCDCMCQKIZDKW-UHFFFAOYSA-N
XLogP4.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2,6-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 65468321
N-(2,3,4-trifluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 43503157
trans-(1S,2S)-2-(5-bromo-2,4-difluoroanilino)cyclopentan-1-ol
CID 102853369
N-(4-fluoro-2-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 43503196
N-(3-fluoro-4-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 43503194
5-bromo-2,4-difluoro-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 102853225
2-fluoro-5-(8-tricyclo[5.2.1.02,6]decanylamino)benzonitrile
CID 63477105
N-naphthalen-1-yltricyclo[5.2.1.02,6]decan-8-amine
CID 43503137
N-(4-bromo-3-nitrophenyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 79760146
4-bromo-2,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 107609439
2-N,2-N-dimethyl-1-N-(8-tricyclo[5.2.1.02,6]decanyl)benzene-1,2-diamine
CID 43726475
5-bromo-2,4-difluoro-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106662857

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2,4-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of N-(5-bromo-2,4-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine (CID 102852658) is N-(5-bromo-2,4-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for N-(5-bromo-2,4-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for N-(5-bromo-2,4-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine is Fc1cc(F)c(NC2CC3CC2C2CCCC32)cc1Br.
What is the InChIKey of N-(5-bromo-2,4-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is POCDCMCQKIZDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrF2N/c17-12-6-16(14(19)7-13(12)18)20-15-5-8-4-11(15)10-3-1-2-9(8)10/h6-11,15,20H,1-5H2.
What are the key properties of N-(5-bromo-2,4-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine?
N-(5-bromo-2,4-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 342.23 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2,4-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 102852658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).