N-(3-fluoro-4-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine

C17H22FN — CID 43503194

IUPACN-(3-fluoro-4-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESCc1ccc(NC2CC3CC2C2CCCC32)cc1F
InChIInChI=1S/C17H22FN/c1-10-5-6-12(9-16(10)18)19-17-8-11-7-15(17)14-4-2-3-13(11)14/h5-6,9,11,13-15,17,19H,2-4,7-8H2,1H3
InChIKeyHEYJTIRZQZFHEA-UHFFFAOYSA-N
MW259.37 g/mol
LogP4.37
Rot. Bonds2

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

N-(3-fluoro-4-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 43503194) has the molecular formula C17H22FN and a molecular weight of 259.37 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID43503194
Molecular FormulaC17H22FN
Molecular Weight259.37 g/mol
Exact Mass259.17
IUPAC NameN-(3-fluoro-4-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESCc1ccc(NC2CC3CC2C2CCCC32)cc1F
InChIInChI=1S/C17H22FN/c1-10-5-6-12(9-16(10)18)19-17-8-11-7-15(17)14-4-2-3-13(11)14/h5-6,9,11,13-15,17,19H,2-4,7-8H2,1H3
InChIKeyHEYJTIRZQZFHEA-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-5-(8-tricyclo[5.2.1.02,6]decanylamino)benzonitrile
CID 63477105
N-(4-fluoro-2-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 43503196
N-(8-tricyclo[5.2.1.02,6]decanyl)-1,3-benzodioxol-5-amine
CID 43503205
N-(8-tricyclo[5.2.1.02,6]decanyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43503174
2-chloro-1-N,1-N-dimethyl-4-N-(8-tricyclo[5.2.1.02,6]decanyl)benzene-1,4-diamine
CID 63451178
3-N,3-N-dimethyl-1-N-(8-tricyclo[5.2.1.02,6]decanyl)benzene-1,3-diamine
CID 115376237
5-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)pyridin-3-amine
CID 107584885
N-(4-propylphenyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 43503217
N-(4-bromo-2,6-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 65468321
N-(3-methylsulfonylphenyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 60923902
N-(5-bromo-2,4-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 102852658
1-N-(3-fluoro-4-methylphenyl)cyclohexane-1,3-diamine
CID 79459008

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of N-(3-fluoro-4-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine (CID 43503194) is N-(3-fluoro-4-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine is Cc1ccc(NC2CC3CC2C2CCCC32)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is HEYJTIRZQZFHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN/c1-10-5-6-12(9-16(10)18)19-17-8-11-7-15(17)14-4-2-3-13(11)14/h5-6,9,11,13-15,17,19H,2-4,7-8H2,1H3.
What are the key properties of N-(3-fluoro-4-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine?
N-(3-fluoro-4-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 259.37 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 43503194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).