N-(2,3,4-trifluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine

C16H18F3N — CID 43503157

IUPACN-(2,3,4-trifluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESFc1ccc(NC2CC3CC2C2CCCC32)c(F)c1F
InChIInChI=1S/C16H18F3N/c17-12-4-5-13(16(19)15(12)18)20-14-7-8-6-11(14)10-3-1-2-9(8)10/h4-5,8-11,14,20H,1-3,6-7H2
InChIKeyBRYVQJLFAYFNIM-UHFFFAOYSA-N
MW281.32 g/mol
LogP4.34
Rot. Bonds2

About N-(2,3,4-trifluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine

N-(2,3,4-trifluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 43503157) has the molecular formula C16H18F3N and a molecular weight of 281.32 g/mol. Its IUPAC name is N-(2,3,4-trifluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound NameN-(2,3,4-trifluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID43503157
Molecular FormulaC16H18F3N
Molecular Weight281.32 g/mol
Exact Mass281.14
IUPAC NameN-(2,3,4-trifluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESFc1ccc(NC2CC3CC2C2CCCC32)c(F)c1F
InChIInChI=1S/C16H18F3N/c17-12-4-5-13(16(19)15(12)18)20-14-7-8-6-11(14)10-3-1-2-9(8)10/h4-5,8-11,14,20H,1-3,6-7H2
InChIKeyBRYVQJLFAYFNIM-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluoro-2-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 43503196
N-(5-bromo-2,4-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 102852658
N-(4-bromo-2,6-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 65468321
2-fluoro-5-(8-tricyclo[5.2.1.02,6]decanylamino)benzonitrile
CID 63477105
N-(3-fluoro-4-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 43503194
N-naphthalen-1-yltricyclo[5.2.1.02,6]decan-8-amine
CID 43503137
2-N,2-N-dimethyl-1-N-(8-tricyclo[5.2.1.02,6]decanyl)benzene-1,2-diamine
CID 43726475
4-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)pyridin-3-amine
CID 83164717
N-(2,3,4-trifluorophenyl)cycloheptanamine
CID 29277673
2,3,4-trifluoro-N-(3-methylcyclohexyl)aniline
CID 43107214
2-(2-fluorophenyl)-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide
CID 124794619
2,3,4-trifluoro-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447775

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4-trifluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of N-(2,3,4-trifluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine (CID 43503157) is N-(2,3,4-trifluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for N-(2,3,4-trifluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for N-(2,3,4-trifluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine is Fc1ccc(NC2CC3CC2C2CCCC32)c(F)c1F.
What is the InChIKey of N-(2,3,4-trifluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is BRYVQJLFAYFNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N/c17-12-4-5-13(16(19)15(12)18)20-14-7-8-6-11(14)10-3-1-2-9(8)10/h4-5,8-11,14,20H,1-3,6-7H2.
What are the key properties of N-(2,3,4-trifluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine?
N-(2,3,4-trifluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 281.32 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4-trifluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 43503157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).