N-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine

C17H17F2N — CID 82816513

IUPACN-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCc1ccc(F)c(NC2CCc3ccccc3C2)c1F
InChIInChI=1S/C17H17F2N/c1-11-6-9-15(18)17(16(11)19)20-14-8-7-12-4-2-3-5-13(12)10-14/h2-6,9,14,20H,7-8,10H2,1H3
InChIKeySTKLGJQGASIBPV-UHFFFAOYSA-N
MW273.33 g/mol
LogP4.24
Rot. Bonds2

About N-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine

N-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 82816513) has the molecular formula C17H17F2N and a molecular weight of 273.33 g/mol. Its IUPAC name is N-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID82816513
Molecular FormulaC17H17F2N
Molecular Weight273.33 g/mol
Exact Mass273.13
IUPAC NameN-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCc1ccc(F)c(NC2CCc3ccccc3C2)c1F
InChIInChI=1S/C17H17F2N/c1-11-6-9-15(18)17(16(11)19)20-14-8-7-12-4-2-3-5-13(12)10-14/h2-6,9,14,20H,7-8,10H2,1H3
InChIKeySTKLGJQGASIBPV-UHFFFAOYSA-N
XLogP4.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 82816513) is N-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine is Cc1ccc(F)c(NC2CCc3ccccc3C2)c1F.
What is the InChIKey of N-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is STKLGJQGASIBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N/c1-11-6-9-15(18)17(16(11)19)20-14-8-7-12-4-2-3-5-13(12)10-14/h2-6,9,14,20H,7-8,10H2,1H3.
What are the key properties of N-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
N-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 273.33 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 82816513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).