8-[(2,6-difluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine

C17H21F2N — CID 114931211

IUPAC8-[(2,6-difluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESNC1(Cc2c(F)cccc2F)CC2CC1C1CCCC21
InChIInChI=1S/C17H21F2N/c18-15-5-2-6-16(19)13(15)9-17(20)8-10-7-14(17)12-4-1-3-11(10)12/h2,5-6,10-12,14H,1,3-4,7-9,20H2
InChIKeyUGJWZAXIIQMAJU-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.66
Rot. Bonds2

About 8-[(2,6-difluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine

8-[(2,6-difluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 114931211) has the molecular formula C17H21F2N and a molecular weight of 277.36 g/mol. Its IUPAC name is 8-[(2,6-difluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound Name8-[(2,6-difluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID114931211
Molecular FormulaC17H21F2N
Molecular Weight277.36 g/mol
Exact Mass277.16
IUPAC Name8-[(2,6-difluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESNC1(Cc2c(F)cccc2F)CC2CC1C1CCCC21
InChIInChI=1S/C17H21F2N/c18-15-5-2-6-16(19)13(15)9-17(20)8-10-7-14(17)12-4-1-3-11(10)12/h2,5-6,10-12,14H,1,3-4,7-9,20H2
InChIKeyUGJWZAXIIQMAJU-UHFFFAOYSA-N
XLogP3.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8-[(4-chlorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 60798618
8-(2-fluoro-4,6-dimethylphenyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 106880624
8-[(4-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol
CID 60799197
1-[(2,6-difluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 114931200
8-(4-fluoro-2-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 62787485
8-[(3-methoxyphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol
CID 65147340
2-[8-(2-hydroxyphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol
CID 19877938
2-[(3-bromo-1-methylcyclopentyl)methyl]-1,3-difluorobenzene
CID 114934515
8-(2,4-dimethylphenyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 62802507
1-[2-[(2,6-difluorophenyl)methyl]cyclopentyl]-N-methylmethanamine
CID 114935178
[2-[(2,6-difluorophenyl)methyl]cyclopentyl]methanamine
CID 114935146
1-[(3-chlorophenyl)methyl]-2-cyclobutylcyclopropan-1-amine
CID 84699183

Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-difluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of 8-[(2,6-difluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine (CID 114931211) is 8-[(2,6-difluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for 8-[(2,6-difluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for 8-[(2,6-difluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine is NC1(Cc2c(F)cccc2F)CC2CC1C1CCCC21.
What is the InChIKey of 8-[(2,6-difluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is UGJWZAXIIQMAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N/c18-15-5-2-6-16(19)13(15)9-17(20)8-10-7-14(17)12-4-1-3-11(10)12/h2,5-6,10-12,14H,1,3-4,7-9,20H2.
What are the key properties of 8-[(2,6-difluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
8-[(2,6-difluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 277.36 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,6-difluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 114931211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).